Geometry & MOs

Info

ID:	348305
PubChem CID:	127273370
Reduced:	O2N7C16H17 (1)
Stoich.:	A2B7C16D17 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	24.42
Dipole, Da:	3.69
IP(EA), eV:	-9.49(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations