Geometry & MOs

Info

ID:	336279
PubChem CID:	127255286
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	-137.84
Dipole, Da:	4.1
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-oxoquinazolin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)N5CCCC5)OC

DOS

IR

Vibrations