Geometry & MOs

Info

ID:	152677
PubChem CID:	56311706
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-155.42
Dipole, Da:	2.75
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC(=O)NC2=C(C=C(C=C2C)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations