Geometry & MOs

Info

ID:	22972
PubChem CID:	600446
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	30.13
Dipole, Da:	4.62
IP(EA), eV:	-8.95(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC

DOS

IR

Vibrations