Geometry & MOs

Info

ID:	130252
PubChem CID:	51075384
Reduced:	OSN2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	313.099731
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	3.96
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile

Drug info:

PubChemData

Smile

CCCNC(=O)/C=C/C1=CSC(=N1)C

DOS

IR

Vibrations