Geometry & MOs

Info

ID:	244603
PubChem CID:	99368181
Reduced:	BrFN3O3C18H19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-114.04
Dipole, Da:	6.04
IP(EA), eV:	-9.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetamido-3-(4-methylphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)N(C)CC1=CN=CC=C1)OC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations