Geometry & MOs

Info

ID:	247148
PubChem CID:	103068197
Reduced:	NSC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	225.104817
ΔH_f, kcal/mol:	50.74
Dipole, Da:	1.58
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CSC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations