Geometry & MOs

Info

ID:	298650
PubChem CID:	117653527
Reduced:	NH35C48 (1)
Stoich.:	AB35C48 (1)
Weight, g/mol:	365.12766
ΔH_f, kcal/mol:	203.01
Dipole, Da:	0.74
IP(EA), eV:	-8.07(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)N(C3=C(C=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations