Geometry & MOs

Info

ID:	370616
PubChem CID:	127339766
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	3.57
IP(EA), eV:	-9.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)N

DOS

IR

Vibrations