Geometry & MOs

Info

ID:	276604
PubChem CID:	103824452
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	49.88
Dipole, Da:	5.29
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(1-methylpyrrol-2-yl)methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C#N)C2=CC(=NC(=N2)N)OC

DOS

IR

Vibrations