Geometry & MOs

Info

ID:	151979
PubChem CID:	56310814
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-111.81
Dipole, Da:	3.69
IP(EA), eV:	-8.3(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations