Geometry & MOs

Info

ID:	443474
PubChem CID:	135259140
Reduced:	FSO4N7C25H30 (1)
Stoich.:	ABC4D7E25F30 (1)
Weight, g/mol:	351.088688
ΔH_f, kcal/mol:	-156.47
Dipole, Da:	4.06
IP(EA), eV:	-8.94(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(6-chloroquinazolin-4-yl)amino]-3,7-dimethyl-4,10-diazatricyclo[4.3.1.03,10]deca-1,6,8-trien-5-one

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)NCCN(C)C)CCC(CC3)(CF)O

DOS

IR

Vibrations