Geometry & MOs

Info

ID:	160274
PubChem CID:	57309620
Reduced:	ClNO6H16C17 (1)
Stoich.:	ABC6D16E17 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	-227.93
Dipole, Da:	5.48
IP(EA), eV:	-10.43(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(1S,4S)-6-methoxycarbonyl-4-methylcyclohex-2-en-1-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)O)C2=C(C=CC(=C2)Cl)C(=O)OC)C(=O)O)C

DOS

IR

Vibrations