Geometry & MOs

Info

ID:	342688
PubChem CID:	127265848
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	36.09
Dipole, Da:	7.21
IP(EA), eV:	-9.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-methylbenzotriazol-5-yl)but-1-en-2-yl]-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)C(=CC2=CSN=N2)CC

DOS

IR

Vibrations