Geometry & MOs

Info

ID:	153728
PubChem CID:	56313032
Reduced:	FN3O5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	5.23
IP(EA), eV:	-9.59(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-2-methoxyphenoxy)-N-(3-phenylbutyl)butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C)(C)C1=CC=CC=C1F)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations