Geometry & MOs

Info

ID:	311835
PubChem CID:	126598190
Reduced:	SN2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	491.281398
ΔH_f, kcal/mol:	53.69
Dipole, Da:	1.18
IP(EA), eV:	-8.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]pyridin-2-yl]-7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl]phosphane

Drug info:

PubChemData

Smile

CC1=CC2=C(N1S)N=CC=C2

DOS

IR

Vibrations