Geometry & MOs

Info

ID:	124390
PubChem CID:	50881119
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	322.063968
ΔH_f, kcal/mol:	-52.5
Dipole, Da:	3.65
IP(EA), eV:	-8.16(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dichlorophenyl)-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C(=C2)N3CCOCC3)N)Cl

DOS

IR

Vibrations