Geometry & MOs

Info

ID:	151868
PubChem CID:	56310690
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	3.48
IP(EA), eV:	-8.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations