Geometry & MOs

Info

ID:	153082
PubChem CID:	56312213
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	461.212613
ΔH_f, kcal/mol:	-88.85
Dipole, Da:	5.9
IP(EA), eV:	-8.36(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations