Geometry & MOs

Info

ID:	32079
PubChem CID:	4265966
Reduced:	NC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	456.14337
ΔH_f, kcal/mol:	47.17
Dipole, Da:	1.93
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,6-dimethoxyphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations