Geometry & MOs

Info

ID:	39742
PubChem CID:	8142116
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	387.175833
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	6.28
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations