Geometry & MOs

Info

ID:	52652
PubChem CID:	12015627
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	1.77
IP(EA), eV:	-8.58(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-benzyl-N-[(1S,4S,6R)-6-formyl-4,6-dimethylcyclohex-2-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)/C=C/C=C

DOS

IR

Vibrations