Geometry & MOs

Info

ID:	152610
PubChem CID:	56311582
Reduced:	N2O3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-200.32
Dipole, Da:	1.99
IP(EA), eV:	-8.44(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(7-ethyl-2-oxochromen-4-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations