Geometry & MOs

Info

ID:	196817
PubChem CID:	78882700
Reduced:	ClSN2F3O4C14H16 (1)
Stoich.:	ABC2D3E4F14G16 (1)
Weight, g/mol:	293.164046
ΔH_f, kcal/mol:	-314.15
Dipole, Da:	1.91
IP(EA), eV:	-9.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline

Drug info:

PubChemData

Smile

CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

DOS

IR

Vibrations