Geometry & MOs

Info

ID:	206378
PubChem CID:	80241560
Reduced:	NSC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	249.104817
ΔH_f, kcal/mol:	54.43
Dipole, Da:	4.97
IP(EA), eV:	-8.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3-methylthiophen-2-yl)methyl]tetrazol-5-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=S)N2)CC3=CSC=C3C

DOS

IR

Vibrations