Geometry & MOs

Info

ID:	373112
PubChem CID:	131310146
Reduced:	BrClNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-17.77
Dipole, Da:	4.33
IP(EA), eV:	-9.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-amino-5-(hydroxymethyl)-7,8-dihydro-6H-naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=CC(=C1CC#N)CCl)Br

DOS

IR

Vibrations