Geometry & MOs

Info

ID:	402066
PubChem CID:	135054137
Reduced:	O4C23H30 (1)
Stoich.:	A4B23C30 (1)
Weight, g/mol:	349.167794
ΔH_f, kcal/mol:	-85.43
Dipole, Da:	3.95
IP(EA), eV:	-9.31(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S,6R)-3-benzyl-6-formylcyclohex-2-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)C[C@@H](CCCOCC1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2

DOS

IR

Vibrations