Geometry & MOs

Info

ID:	358931
PubChem CID:	127296822
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-118.76
Dipole, Da:	4.81
IP(EA), eV:	-9.32(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-methylcyclohexyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N2CCCOCC2

DOS

IR

Vibrations