Geometry & MOs

Info

ID:	285047
PubChem CID:	104093117
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	4.73
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(3-hydroxypropyl)triazol-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=O)O2)CCN3C=C(N=N3)CCCO

DOS

IR

Vibrations