Geometry & MOs

Info

ID:	16184
PubChem CID:	461008
Reduced:	N2O3C34H40 (1)
Stoich.:	A2B3C34D40 (1)
Weight, g/mol:	524.303893
ΔH_f, kcal/mol:	-119.13
Dipole, Da:	3.15
IP(EA), eV:	-8.69(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[1-(tert-butylcarbamoyl)naphthalen-2-yl]-3-hydroxybutyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CC3=C(C4=CC=CC=C4C=C3)C(=O)NC(C)(C)C)O

DOS

IR

Vibrations