Geometry & MOs

Info

ID:	152770
PubChem CID:	56311836
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	435.111647
ΔH_f, kcal/mol:	-167.61
Dipole, Da:	0.91
IP(EA), eV:	-8.73(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations