Geometry & MOs

Info

ID:	148584
PubChem CID:	53788252
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	282.070595
ΔH_f, kcal/mol:	-146.66
Dipole, Da:	2.41
IP(EA), eV:	-8.61(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-propylsulfanyl-1H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

CCC(C)(C)C1=C(C=C(C=C1C)N2C[C@@H](OC2=O)CNC(=O)C)C

DOS

IR

Vibrations