Geometry & MOs

Info

ID:	187219
PubChem CID:	77545975
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	477.226371
ΔH_f, kcal/mol:	-42.09
Dipole, Da:	0.92
IP(EA), eV:	-9.24(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidine-2-carbonyl)amino]ethyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CN)C(=O)C2CC2C3=CC=CC=C3

DOS

IR

Vibrations