Geometry & MOs

Info

ID:	243274
PubChem CID:	99218142
Reduced:	ClOSN5H18C19 (1)
Stoich.:	ABCD5E18F19 (1)
Weight, g/mol:	417.10519
ΔH_f, kcal/mol:	60.44
Dipole, Da:	6.7
IP(EA), eV:	-8.89(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]-3-(propanoylamino)benzamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=CC=CC=N2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4Cl

DOS

IR

Vibrations