Geometry & MOs

Info

ID:	425949
PubChem CID:	135133419
Reduced:	ON7H15C17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	458.04907
ΔH_f, kcal/mol:	124.09
Dipole, Da:	6.42
IP(EA), eV:	-9.26(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-(4-bromophenyl)-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations