Geometry & MOs

Info

ID:	305954
PubChem CID:	124975919
Reduced:	N7C18H21 (1)
Stoich.:	A7B18C21 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	107.21
Dipole, Da:	5.1
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-N,1-dimethyl-4-(quinoline-6-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1CN2CCC[C@@H]2C3=CC(=NC=C3)NC4=NC=CC=N4

DOS

IR

Vibrations