Geometry & MOs

Info

ID:	183787
PubChem CID:	77070036
Reduced:	O2N3C16H31 (1)
Stoich.:	A2B3C16D31 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	3.54
IP(EA), eV:	-9.2(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(2-methylphenyl)prop-2-enoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)CC(C)NC(=O)C1(CCCCCC1)C(=NO)N

DOS

IR

Vibrations