Geometry & MOs

Info

ID:	154148
PubChem CID:	56313547
Reduced:	BrFNOC18H19 (1)
Stoich.:	ABCDE18F19 (1)
Weight, g/mol:	317.159121
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	3.66
IP(EA), eV:	-9.27(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluorophenyl)-N-(3-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CC1=CC(=C(C=C1)F)Br)C2=CC=CC=C2

DOS

IR

Vibrations