Geometry & MOs

Info

ID:	276743
PubChem CID:	103824888
Reduced:	BrNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	367.02416
ΔH_f, kcal/mol:	-62.59
Dipole, Da:	4.15
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)CO

DOS

IR

Vibrations