Geometry & MOs

Info

ID:	414905
PubChem CID:	135087877
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	286.100066
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	5.21
IP(EA), eV:	-9.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations