Geometry & MOs

Info

ID:	156132
PubChem CID:	56369251
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	346.144806
ΔH_f, kcal/mol:	11.46
Dipole, Da:	3.5
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-hydroxyphenyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(N=C2C=C1)C)C(=O)NC3=NNC(=C3)C(C)(C)C

DOS

IR

Vibrations