Geometry & MOs

Info

ID:	330443
PubChem CID:	127247847
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	2.76
IP(EA), eV:	-9.0(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(1H-imidazol-5-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N)CC=C

DOS

IR

Vibrations