Geometry & MOs

Info

ID:	158526
PubChem CID:	56464133
Reduced:	N3O5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	-167.5
Dipole, Da:	2.33
IP(EA), eV:	-8.56(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CC(=O)N(C1)C2=CC(=C(C(=C2)OC)OC)OC)N(C)C3CC3

DOS

IR

Vibrations