Geometry & MOs

Info

ID:	425769
PubChem CID:	135127902
Reduced:	FO3N5C28H32 (1)
Stoich.:	AB3C5D28E32 (1)
Weight, g/mol:	388.145474
ΔH_f, kcal/mol:	21.47
Dipole, Da:	4.35
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2-ethyl-3-methylcyclohepta-1,3,6-trien-1-yl)-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

C1CC1C2=C(C=CC(=C2)NC3=NC(=NC4C3C=C(C=C4)OCC(N5CCOCC5)O)C6CC=CN=C6)F

DOS

IR

Vibrations