Geometry & MOs

Info

ID:	196397
PubChem CID:	78819340
Reduced:	BrN3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	387.09577
ΔH_f, kcal/mol:	87.96
Dipole, Da:	1.99
IP(EA), eV:	-8.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]propanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)NCC2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations