Geometry & MOs

Info

ID:	360911
PubChem CID:	127301617
Reduced:	OSN5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	74.34
Dipole, Da:	10.22
IP(EA), eV:	-9.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations