Geometry & MOs

Info

ID:

329535

PubChem CID:

126737887

Reduced:

NOC7H7 (4)

Stoich.:

ABC7D7 (4)

Weight, g/mol:

681.316249

ΔHf, kcal/mol:

-36.73

Dipole, Da:

7.73

IP(EA), eV:

 -8.58(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-[[1-[[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]cyclopropanecarbonyl]amino]phenyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H]1C2=C(C(=CC3=NC=CC(=C32)OC4=C(C=CC(=C4)NC(=O)NC5=CC=C(N1)C=C5)C)OC)OC

DOS

IR

Vibrations