Geometry & MOs

Info

ID:

189713

PubChem CID:

77894124

Reduced:

NOC10H13 (2)

Stoich.:

ABC10D13 (2)

Weight, g/mol:

633.296949

ΔHf, kcal/mol:

-35.15

Dipole, Da:

5.32

IP(EA), eV:

 -8.97(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[4-amino-4-(4-chlorophenyl)-1-[3-[9-(2-hydroxypropan-2-yl)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]-3-methylpiperidin-3-yl]methoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C1=CC2C(C=C1)OCC3=C(C2=CCCNC)C=CC=N3)O

DOS

IR

Vibrations