Geometry & MOs

Info

ID:	151866
PubChem CID:	56310688
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	479.205636
ΔH_f, kcal/mol:	-168.23
Dipole, Da:	6.3
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations