Geometry & MOs

Info

ID:	336417
PubChem CID:	127255424
Reduced:	Cl2N2C7H10 (1)
Stoich.:	A2B2C7D10 (1)
Weight, g/mol:	518.314458
ΔH_f, kcal/mol:	-22.03
Dipole, Da:	4.65
IP(EA), eV:	-9.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-2-phenylacetic acid;(1S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)Cl)N.Cl

DOS

IR

Vibrations