Geometry & MOs

Info

ID:	165635
PubChem CID:	74578633
Reduced:	NO2C13H20 (2)
Stoich.:	AB2C13D20 (2)
Weight, g/mol:	456.319937
ΔH_f, kcal/mol:	-204.6
Dipole, Da:	5.65
IP(EA), eV:	-9.29(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-7-[(2-methoxyacetyl)amino]-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N,N-bis(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N(C)CC3=CC=CC=C3)O)C)NC(=O)COC

DOS

IR

Vibrations