Geometry & MOs

Info

ID:	169410
PubChem CID:	75101779
Reduced:	ClO3N4C33H39 (1)
Stoich.:	AB3C4D33E39 (1)
Weight, g/mol:	533.208134
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	2.88
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-2-cyclopropyl-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC2CC(N(C2)CC3=CC(=CC=C3)Cl)C(=O)NCCC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

DOS

IR

Vibrations