Geometry & MOs

Info

ID:	49376
PubChem CID:	11532940
Reduced:	Cl2O2N3C25H27 (1)
Stoich.:	A2B2C3D25E27 (1)
Weight, g/mol:	471.148032
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	4.27
IP(EA), eV:	-8.63(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-4-chloro-3-[(3-chloropyridin-2-yl)-(3-hydroxypropyl)amino]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)N(CCOC)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations