Geometry & MOs

Info

ID:	258682
PubChem CID:	103156293
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	241.153875
ΔH_f, kcal/mol:	-82.23
Dipole, Da:	3.53
IP(EA), eV:	-9.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC(CN)OC)C1=CC=CS1

DOS

IR

Vibrations