Geometry & MOs

Info

ID:	275561
PubChem CID:	103816602
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	2.95
IP(EA), eV:	-9.67(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[phenylmethoxycarbonyl(propyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)NCCCC#C

DOS

IR

Vibrations