Geometry & MOs

Info

ID:	162426
PubChem CID:	57394632
Reduced:	OS3N4H8C11 (1)
Stoich.:	AB3C4D8E11 (1)
Weight, g/mol:	312.140868
ΔH_f, kcal/mol:	67.06
Dipole, Da:	1.14
IP(EA), eV:	-8.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1C2=C(C3=C(S1)SC=C3)N=C(S2)N4C=NNC4=O

DOS

IR

Vibrations