Geometry & MOs

Info

ID:	223988
PubChem CID:	85336584
Reduced:	O3N6C22H28 (1)
Stoich.:	A3B6C22D28 (1)
Weight, g/mol:	431.107979
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	6.01
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dichlorophenyl)-N-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CC(C)NC(=O)NN1CC2C(C1)NNC2NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations