Geometry & MOs

Info

ID:	165634
PubChem CID:	74578632
Reduced:	N2O4C25H38 (1)
Stoich.:	A2B4C25D38 (1)
Weight, g/mol:	444.298808
ΔH_f, kcal/mol:	-205.14
Dipole, Da:	4.11
IP(EA), eV:	-9.66(-0.01)
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]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3)O)C)NC(=O)COC

DOS

IR

Vibrations