Geometry & MOs

Info

ID:	399383
PubChem CID:	135039972
Reduced:	NO4C14H25 (1)
Stoich.:	AB4C14D25 (1)
Weight, g/mol:	223.1361
ΔH_f, kcal/mol:	-228.61
Dipole, Da:	7.26
IP(EA), eV:	-10.13(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,10bS)-5-prop-2-ynyl-4,4a,6,10b-tetrahydro-1H-phenanthridine

Drug info:

PubChemData

Smile

CCCC[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations