Geometry & MOs

Info

ID:	300077
PubChem CID:	119526692
Reduced:	ClO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	3.78
IP(EA), eV:	-9.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC(=C2)C(=O)N)N.Cl

DOS

IR

Vibrations