Geometry & MOs

Info

ID:	152391
PubChem CID:	56311308
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-122.8
Dipole, Da:	7.54
IP(EA), eV:	-8.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(3-anilino-3-oxopropyl)-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)N(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations