Geometry & MOs

Info

ID:	358930
PubChem CID:	127296821
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	1.97
IP(EA), eV:	-9.19(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N2CCC(CC2)C3=NC=CN3

DOS

IR

Vibrations