Geometry & MOs

Info

ID:	258557
PubChem CID:	103154945
Reduced:	ClO2N3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	5.83
IP(EA), eV:	-8.2(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)NC(=O)CC(CN)OC)Cl

DOS

IR

Vibrations