Geometry & MOs

Info

ID:	177715
PubChem CID:	76220281
Reduced:	BrN2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	66.22
Dipole, Da:	0.68
IP(EA), eV:	-10.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-amino-3-hydroxypropyl)phenyl]ethanone

Drug info:

PubChemData

Smile

C1C(N1)C2=C(C=NC=C2)Br

DOS

IR

Vibrations