Geometry & MOs

Info

ID:	165636
PubChem CID:	74578634
Reduced:	NO3C12H22 (2)
Stoich.:	AB3C12D22 (2)
Weight, g/mol:	396.298808
ΔH_f, kcal/mol:	-315.81
Dipole, Da:	6.87
IP(EA), eV:	-9.34(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N(CCOC)CCOC)O)C)NC(=O)COC

DOS

IR

Vibrations