Geometry & MOs

Info

ID:	130082
PubChem CID:	51074872
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	294.148061
ΔH_f, kcal/mol:	5.08
Dipole, Da:	4.3
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl(pyridin-3-ylmethyl)amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC3CCCCNC3=O

DOS

IR

Vibrations