Geometry & MOs

Info

ID:	126907
PubChem CID:	50983884
Reduced:	OSN2C15H26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	-35.1
Dipole, Da:	2.92
IP(EA), eV:	-8.59(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)methyl]-4-methylphthalazin-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)CC2CCCN(C2)CCO

DOS

IR

Vibrations