Geometry & MOs

Info

ID:	83697
PubChem CID:	49860236
Reduced:	Cl2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	389.212157
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	2.75
IP(EA), eV:	-8.36(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-17-(cyclobutylmethyl)-11-ethyl-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;hydrochloride

Drug info:

PubChemData

Smile

CCNCCCCCCNC1=C2C=CC=CC2=NC3=CC=CC=C31.Cl.Cl

DOS

IR

Vibrations