Geometry & MOs

Info

ID:	258764
PubChem CID:	103156878
Reduced:	ClNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	322.01285
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	2.69
IP(EA), eV:	-8.71(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC(CC2CCCC2)O)Cl)NC

DOS

IR

Vibrations