Geometry & MOs

Info

ID:	152297
PubChem CID:	56311200
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-148.5
Dipole, Da:	4.05
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations