Geometry & MOs

Info

ID:	138194
PubChem CID:	52327196
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-132.29
Dipole, Da:	2.06
IP(EA), eV:	-9.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]butanamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NC2(CCCCCC2)C3=NOC(=N3)C)C)C(=O)OC

DOS

IR

Vibrations