Geometry & MOs

Info

ID:	61763
PubChem CID:	26712603
Reduced:	F3N3O3C21H22 (1)
Stoich.:	A3B3C3D21E22 (1)
Weight, g/mol:	431.08445
ΔH_f, kcal/mol:	-253.26
Dipole, Da:	5.22
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations