Geometry & MOs

Info

ID:	170150
PubChem CID:	75205076
Reduced:	ClO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	388.074533
ΔH_f, kcal/mol:	-7.73
Dipole, Da:	4.2
IP(EA), eV:	-8.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[(2,4-dichlorophenyl)methylamino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations