Geometry & MOs

Info

ID:	195646
PubChem CID:	78715111
Reduced:	ClO3N5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	0.75
Dipole, Da:	7.84
IP(EA), eV:	-9.02(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=C(C=CC(=C2)Cl)OC)C3=NC(=O)C(=C)C(=N3)C

DOS

IR

Vibrations