Geometry & MOs

Info

ID:	359067
PubChem CID:	127297311
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	394.193966
ΔH_f, kcal/mol:	34.94
Dipole, Da:	2.06
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCN1C=NC2=C(N=CN=C21)NCC3(CCCC3)C

DOS

IR

Vibrations