Geometry & MOs

Info

ID:	90035
PubChem CID:	49965886
Reduced:	NO3C28H35 (1)
Stoich.:	AB3C28D35 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-80.93
Dipole, Da:	4.26
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C/C(=C\C2=CC=C(C=C2)OC(C)C)/C(=O)/C(=C/C3=CC=C(C=C3)OC(C)C)/C1

DOS

IR

Vibrations