Geometry & MOs

Info

ID:	151856
PubChem CID:	56310674
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	3.98
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C(=C(O2)C)C)C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations