Geometry & MOs

Info

ID:	145800
PubChem CID:	53594882
Reduced:	O2N5H13C15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	326.131366
ΔH_f, kcal/mol:	96.59
Dipole, Da:	8.59
IP(EA), eV:	-8.6(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=NN(C=C2)CC3=CC=CC=N3)[N+](=O)[O-]

DOS

IR

Vibrations