Geometry & MOs

Info

ID:	346138
PubChem CID:	127270626
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	5.38
IP(EA), eV:	-9.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-4-(cyclohexylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NC(C)C2=NC(=NO2)C

DOS

IR

Vibrations