Geometry & MOs

Info

ID:	443921
PubChem CID:	135260528
Reduced:	N6C19H30 (1)
Stoich.:	A6B19C30 (1)
Weight, g/mol:	353.164046
ΔH_f, kcal/mol:	30.36
Dipole, Da:	3.52
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1-methylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)CC1=C(C=NN1C)C2=NC(=NC=C2)NC3CCC(CC3)N

DOS

IR

Vibrations