Geometry & MOs

Info

ID:	56316
PubChem CID:	17425085
Reduced:	O2F3N3C18H22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	387.05824
ΔH_f, kcal/mol:	-213.91
Dipole, Da:	3.74
IP(EA), eV:	-9.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-bromoanilino)acetyl]amino]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)N2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations