Geometry & MOs

Info

ID:	152599
PubChem CID:	56311570
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	456.200885
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	5.51
IP(EA), eV:	-8.53(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=C(C=CC(=C2)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations