Geometry & MOs

Info

ID:	152084
PubChem CID:	56310941
Reduced:	N5O5C23H31 (1)
Stoich.:	A5B5C23D31 (1)
Weight, g/mol:	431.161184
ΔH_f, kcal/mol:	-180.89
Dipole, Da:	5.07
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NN2C(=O)C3(CCCCC3)NC2=O)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations