Geometry & MOs

Info

ID:	342603
PubChem CID:	127265763
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	343.14514
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	1.84
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(7-chloro-8-methylquinolin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C=CC2=CC(=CC=C2)O

DOS

IR

Vibrations