Geometry & MOs

Info

ID:	52653
PubChem CID:	12015632
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	4.46
IP(EA), eV:	-9.56(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@@]([C@H](C=C1)N(CC2=CC=CC=C2)C(=O)OC)(C)C=O

DOS

IR

Vibrations