Geometry & MOs

Info

ID:	51908
PubChem CID:	12014674
Reduced:	NCl2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	381.126234
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	6.71
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(3,4-dichlorophenyl)-4-phenylbutanoic acid;2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)N.C1=CC=C(C=C1)/C(=C\CC(=O)O)/C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations