Geometry & MOs

Info

ID:	302776
PubChem CID:	124395154
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	319.095691
ΔH_f, kcal/mol:	-27.46
Dipole, Da:	5.98
IP(EA), eV:	-7.96(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(furan-2-yl)-6-hydroxy-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N2CCCCC2)/C=N/NC(=O)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations