Geometry & MOs

Info

ID:	152306
PubChem CID:	56311210
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	476.20597
ΔH_f, kcal/mol:	-44.25
Dipole, Da:	7.81
IP(EA), eV:	-8.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations