Geometry & MOs

Info

ID:	152085
PubChem CID:	56310942
Reduced:	ClN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-131.83
Dipole, Da:	6.95
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations