Geometry & MOs

Info

ID:	151972
PubChem CID:	56310806
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-168.99
Dipole, Da:	5.62
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)C)O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations