Geometry & MOs

Info

ID:	41675
PubChem CID:	8146771
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	396.198383
ΔH_f, kcal/mol:	-22.73
Dipole, Da:	6.35
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl(ethyl)amino]methyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C3=C(C=C(C=C3)C(C)C)C(=O)C2=O

DOS

IR

Vibrations