Geometry & MOs

Info

ID:	340270
PubChem CID:	127262281
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	328.199822
ΔH_f, kcal/mol:	-45.95
Dipole, Da:	2.79
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-carbamoylcyclohexyl)methyl]cyclohexane-1-carboxamide;carbonic acid

Drug info:

PubChemData

Smile

COC(=O)O/C/1=C/C=C\C=C/CC1=O

DOS

IR

Vibrations