Geometry & MOs

Info

ID:	438011
PubChem CID:	135227522
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	311.2613
ΔH_f, kcal/mol:	-59.82
Dipole, Da:	4.84
IP(EA), eV:	-8.55(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR)-N-methyl-N-phenyl-2,3,4,4a,5,6,6a,7,8,9,10,11,11a,11b-tetradecahydro-1H-cyclohepta[a]naphthalen-6-amine

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)C(C)(C)C)/C(=NC1=CC=CC=C1)OC)/N

DOS

IR

Vibrations