Geometry & MOs

Info

ID:	171413
PubChem CID:	75375051
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-35.29
Dipole, Da:	5.23
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C=C(C(=N2)C)C(=O)OCC3=C(OC=C3)C)C

DOS

IR

Vibrations