Geometry & MOs

Info

ID:	292532
PubChem CID:	115354231
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	348.08373
ΔH_f, kcal/mol:	-12.3
Dipole, Da:	5.22
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethylpropyl)-6-bromo-N-methylnaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1N)C(=O)C2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations