Geometry & MOs

Info

ID:	73434
PubChem CID:	48417688
Reduced:	O2F3N3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	379.14514
ΔH_f, kcal/mol:	-181.99
Dipole, Da:	6.09
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-3-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N2CCC(CC2)N(C)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations