Geometry & MOs

Info

ID:	16183
PubChem CID:	461007
Reduced:	N2O3C30H38 (1)
Stoich.:	A2B3C30D38 (1)
Weight, g/mol:	474.288243
ΔH_f, kcal/mol:	-135.39
Dipole, Da:	5.91
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxybutyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC=C1CCC(CC2=C(C3=CC=CC=C3C=C2)C(=O)NC(C)(C)C)O

DOS

IR

Vibrations