Geometry & MOs

Info

ID:	140334
PubChem CID:	52683502
Reduced:	OCl2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	347.157109
ΔH_f, kcal/mol:	0.07
Dipole, Da:	11.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.940443
Charge, e:	1

Chem-info

IUPAC name:

[2-(3-acetylanilino)-2-oxoethyl]-[(3,4-difluorophenyl)methyl]-ethylazanium

Drug info:

PubChemData

Smile

C[NH+](CC1=CC(=CC(=C1)Cl)Cl)CC(=O)NC2=CC=C(C=C2)N3CCCC3

DOS

IR

Vibrations