Geometry & MOs

Info

ID:	173348
PubChem CID:	75625761
Reduced:	O3N8C16H24 (1)
Stoich.:	A3B8C16D24 (1)
Weight, g/mol:	372.056008
ΔH_f, kcal/mol:	-49.23
Dipole, Da:	3.43
IP(EA), eV:	-10.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2-chlorophenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl]methyl]-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CCC)N)C(=O)CN2C=NN=C2C#N

DOS

IR

Vibrations