Geometry & MOs

Info

ID:	280888
PubChem CID:	103851771
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	303.08639
ΔH_f, kcal/mol:	10.7
Dipole, Da:	4.08
IP(EA), eV:	-8.56(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dithiophen-2-ylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2CCCC(C2)SC

DOS

IR

Vibrations