Geometry & MOs

Info

ID:	263218
PubChem CID:	103346696
Reduced:	S3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	295.11769
ΔH_f, kcal/mol:	48.56
Dipole, Da:	1.77
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C2=NC(=C3C=C(SC3=N2)C)NN)C

DOS

IR

Vibrations