Geometry & MOs

Info

ID:	300117
PubChem CID:	119526874
Reduced:	ClOSN2C15H25 (1)
Stoich.:	ABCD2E15F25 (1)
Weight, g/mol:	437.200068
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	5.88
IP(EA), eV:	-8.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)CCSC)N.Cl

DOS

IR

Vibrations