Geometry & MOs

Info

ID:	442165
PubChem CID:	135250225
Reduced:	N2C23H24 (2)
Stoich.:	A2B23C24 (2)
Weight, g/mol:	354.159295
ΔH_f, kcal/mol:	95.09
Dipole, Da:	3.64
IP(EA), eV:	-8.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CC=CC(=C2)C3=CC4=C(C=C3)C5=C(C=C(C=C5)C6=CC(=CC=C6)N7C(=NC(C7(C)C)(C)C)C)C8=CC=CC=C84)(C)C)(C)C

DOS

IR

Vibrations