Geometry & MOs

Info

ID:	29661
PubChem CID:	836263
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	13.14
Dipole, Da:	2.47
IP(EA), eV:	-9.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=NC=CC(=N2)C

DOS

IR

Vibrations