Geometry & MOs

Info

ID:	373370
PubChem CID:	131314349
Reduced:	ClNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	210.115698
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	5.21
IP(EA), eV:	-10.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1R)-1-aminopropyl]naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)C(C)Cl

DOS

IR

Vibrations