Geometry & MOs

Info

ID:	198730
PubChem CID:	79142098
Reduced:	NOSH13C15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	297.081494
ΔH_f, kcal/mol:	10.04
Dipole, Da:	1.74
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-chloroaniline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)C)O

DOS

IR

Vibrations