Geometry & MOs

Info

ID:	152588
PubChem CID:	56311558
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	481.257671
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	4.84
IP(EA), eV:	-8.36(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(C)C)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations