Geometry & MOs

Info

ID:	327755
PubChem CID:	126690980
Reduced:	N2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	10.66
Dipole, Da:	2.38
IP(EA), eV:	-9.02(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-hydroxy-2-methyl-3-phenylbutyl)phenyl]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(CN)C1=CC=C(C=C1)CC(C)C(C2=CC=CC=C2)N

DOS

IR

Vibrations