Geometry & MOs

Info

ID:	146297
PubChem CID:	53666286
Reduced:	NOSCl2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	466.262028
ΔH_f, kcal/mol:	19.99
Dipole, Da:	0.57
IP(EA), eV:	-9.68(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-6-[4-methoxy-3-(7-tetracyclo[5.3.1.03,5.03,9]undecanyl)phenyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)C(=O)C2=C(SN=C2)C3CC3)Cl

DOS

IR

Vibrations