Geometry & MOs

Info

ID:	287747
PubChem CID:	104293752
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	3.43
IP(EA), eV:	-9.35(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1,4-dioxan-2-ylmethyl)-5-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CC(C1)N)C(=O)NC2CCCC2OC

DOS

IR

Vibrations