Geometry & MOs

Info

ID:	247150
PubChem CID:	103068228
Reduced:	SN4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	54.47
Dipole, Da:	4.31
IP(EA), eV:	-9.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=NC=NN1

DOS

IR

Vibrations