Geometry & MOs

Info

ID:	249064
PubChem CID:	103086567
Reduced:	N5C15H31 (1)
Stoich.:	A5B15C31 (1)
Weight, g/mol:	251.120467
ΔH_f, kcal/mol:	14.59
Dipole, Da:	5.83
IP(EA), eV:	-9.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-ethylthiophen-2-yl)methyl]tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCCCCCCCCCN1C(=NN=N1)C(C)NCC

DOS

IR

Vibrations