Geometry & MOs

Info

ID:	158249
PubChem CID:	56463229
Reduced:	BrOSN2C18H21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	370.144806
ΔH_f, kcal/mol:	22.75
Dipole, Da:	2.41
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorobenzoyl)-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=C(S1)C2=CC=C(C=C2)Br)N(C)C3CC3

DOS

IR

Vibrations