Geometry & MOs

Info

ID:	8895
PubChem CID:	83267
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-136.13
Dipole, Da:	4.04
IP(EA), eV:	-9.43(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CC2CCC(CC2)NC(=O)O)N

DOS

IR

Vibrations