Geometry & MOs

Info

ID:	90000
PubChem CID:	49965777
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-19.66
Dipole, Da:	4.42
IP(EA), eV:	-8.39(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations