Geometry & MOs

Info

ID:	126347
PubChem CID:	50961303
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	33.12
Dipole, Da:	5.64
IP(EA), eV:	-8.5(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(thiophen-2-ylmethylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=C(N=CN2CCN3CCCC(C3)CO)C4=CC=CC=C4

DOS

IR

Vibrations