Geometry & MOs

Info

ID:	328248
PubChem CID:	126700370
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	463.197043
ΔH_f, kcal/mol:	-61.43
Dipole, Da:	9.91
IP(EA), eV:	-8.3(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C/C(=C/2\C=CC=CN2)/C=C(C1=O)C(C)(C)C

DOS

IR

Vibrations