Geometry & MOs

Info

ID:	90023
PubChem CID:	49965853
Reduced:	NO4C27H31 (1)
Stoich.:	AB4C27D31 (1)
Weight, g/mol:	332.107339
ΔH_f, kcal/mol:	-119.93
Dipole, Da:	5.55
IP(EA), eV:	-8.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-(4-fluorophenyl)-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(OC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OC(C)C)/CN(C2)C(=O)C)C

DOS

IR

Vibrations