Geometry & MOs

Info

ID:	61764
PubChem CID:	26712605
Reduced:	BrN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	7.46
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations