Geometry & MOs

Info

ID:

176039

PubChem CID:

75987097

Reduced:

N6O7C27H34 (1)

Stoich.:

A6B7C27D34 (1)

Weight, g/mol:

537.269967

ΔHf, kcal/mol:

-153.82

Dipole, Da:

1.96

IP(EA), eV:

 -8.93(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[3-cyclopropyl-2-(dimethylamino)propanoyl]amino]pyrazin-2-yl]oxy-5-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(CO)OC1=CC(=CC(=C1)OC2=NC=C(N=C2)N(CC3CC3)C(=O)COCCOC)C(=O)NC4=NN(C=C4)C

DOS

IR

Vibrations