Geometry & MOs

Info

ID:	434867
PubChem CID:	135175867
Reduced:	N4C11H26 (1)
Stoich.:	A4B11C26 (1)
Weight, g/mol:	402.299476
ΔH_f, kcal/mol:	14.0
Dipole, Da:	3.06
IP(EA), eV:	-8.84(1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aS,5aR,6S,7S,9aS,9bS)-7-ethyl-6-(3-hydroxypropyl)-3a,5a-dimethyl-2,3,4,5,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCCCC(CC)C1NNNN1C(C)C

DOS

IR

Vibrations