Geometry & MOs

Info

ID:

176038

PubChem CID:

75986670

Reduced:

NO10C14H24 (2)

Stoich.:

AB10C14D24 (2)

Weight, g/mol:

554.248897

ΔHf, kcal/mol:

-922.72

Dipole, Da:

5.73

IP(EA), eV:

 -10.16(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[cyclopropylmethyl-[2-(2-methoxyethoxy)acetyl]amino]pyrazin-2-yl]oxy-5-(1-hydroxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(OC(C(C3O)NC(=O)C)O)CO)CO)O)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)O)O)O

DOS

IR

Vibrations