Geometry & MOs

Info

ID:	154900
PubChem CID:	56314448
Reduced:	OF3N6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	372.160456
ΔH_f, kcal/mol:	-99.38
Dipole, Da:	9.72
IP(EA), eV:	-9.42(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-3-(4-chlorophenyl)-N-(3-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1CCN(CC1)C2=NN3C(=NN=C3C(F)(F)F)C=C2)C4=CC=CC=C4

DOS

IR

Vibrations