Geometry & MOs

Info

ID:	59969
PubChem CID:	26512279
Reduced:	N2O3C19H31 (1)
Stoich.:	A2B3C19D31 (1)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	5.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757948
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide

Drug info:

PubChemData

Smile

C[NH+](CC1=C(C=C(C=C1)OC)OC)CC(=O)NC2CCCCCC2

DOS

IR

Vibrations