Geometry & MOs

Info

ID:	281677
PubChem CID:	103914208
Reduced:	NSO3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	-169.68
Dipole, Da:	8.19
IP(EA), eV:	-9.19(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]butanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NCC1CCCC(C1)O

DOS

IR

Vibrations