Geometry & MOs

Info

ID:	152500
PubChem CID:	56311439
Reduced:	N4O5C27H32 (1)
Stoich.:	A4B5C27D32 (1)
Weight, g/mol:	465.171142
ΔH_f, kcal/mol:	-169.79
Dipole, Da:	4.43
IP(EA), eV:	-8.59(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations