Geometry & MOs

Info

ID:	279554
PubChem CID:	103844312
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	3.22
IP(EA), eV:	-9.08(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=NC(=C1)C)CO

DOS

IR

Vibrations