Geometry & MOs

Info

ID:	165633
PubChem CID:	74578631
Reduced:	N3O5C24H43 (1)
Stoich.:	A3B5C24D43 (1)
Weight, g/mol:	430.283158
ΔH_f, kcal/mol:	-272.01
Dipole, Da:	3.33
IP(EA), eV:	-9.01(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-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)NCCN3CCOCC3)O)C)NC(=O)COC

DOS

IR

Vibrations