Geometry & MOs

Info

ID:	69191
PubChem CID:	46530392
Reduced:	BrN2O3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	7.34
IP(EA), eV:	-9.11(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations