Geometry & MOs

Info

ID:	395609
PubChem CID:	135025995
Reduced:	ON2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	331.181038
ΔH_f, kcal/mol:	-1.68
Dipole, Da:	2.73
IP(EA), eV:	-8.24(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-N-[1-(4-methoxynaphthalen-1-yl)-2-methylpropan-2-yl]benzonitrilium

Drug info:

PubChemData

Smile

CC1(CC2(CCC(C3=CC=CC=C32)OC)C(=N1)C4=CC=CC=C4N)C

DOS

IR

Vibrations