Geometry & MOs

Info

ID:	425763
PubChem CID:	135127888
Reduced:	ON4H22C23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	374.093439
ΔH_f, kcal/mol:	75.24
Dipole, Da:	3.96
IP(EA), eV:	-8.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylcyclohepta-1,3,5,6-tetraen-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=C(C=C3)OC)C4=CCC=CN=C4)C

DOS

IR

Vibrations