Geometry & MOs

Info

ID:	368715
PubChem CID:	127329924
Reduced:	O2N5C21H39 (1)
Stoich.:	A2B5C21D39 (1)
Weight, g/mol:	387.182588
ΔH_f, kcal/mol:	-107.58
Dipole, Da:	4.22
IP(EA), eV:	-8.47(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)CN2CCN(CC2)C(=O)NC3CCN4C3CCCC4

DOS

IR

Vibrations