Geometry & MOs

Info

ID:	152086
PubChem CID:	56310943
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-130.66
Dipole, Da:	6.54
IP(EA), eV:	-8.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2CCCCC2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations