Geometry & MOs

Info

ID:	128048
PubChem CID:	51028731
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	286.107933
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	4.47
IP(EA), eV:	-8.6(0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2R,3S,4R)-3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C

DOS

IR

Vibrations