Geometry & MOs

Info

ID:	258681
PubChem CID:	103156290
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-44.96
Dipole, Da:	1.88
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=CC2=C1C=NC=C2)CN

DOS

IR

Vibrations