Geometry & MOs

Info

ID:	152969
PubChem CID:	56312072
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	6.8
IP(EA), eV:	-7.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3CCCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations