Geometry & MOs

Info

ID:	354734
PubChem CID:	127287447
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-164.44
Dipole, Da:	2.15
IP(EA), eV:	-9.26(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)NCC2CCN(CC2)C(=O)C

DOS

IR

Vibrations