Geometry & MOs

Info

ID:	352484
PubChem CID:	127283572
Reduced:	O3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	5.13
IP(EA), eV:	-9.81(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations