Geometry & MOs

Info

ID:	151810
PubChem CID:	56310620
Reduced:	O2N5C27H35 (1)
Stoich.:	A2B5C27D35 (1)
Weight, g/mol:	449.176227
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	6.2
IP(EA), eV:	-8.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C(=C(N3C4CCCC4)C)C)C#N

DOS

IR

Vibrations