Geometry & MOs

Info

ID:	123125
PubChem CID:	50834725
Reduced:	FO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	371.138225
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	6.48
IP(EA), eV:	-8.68(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CNN3C2=NC(=CC3C4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations