Geometry & MOs

Info

ID:	330520
PubChem CID:	127247927
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-139.31
Dipole, Da:	3.65
IP(EA), eV:	-9.32(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations