Geometry & MOs

Info

ID:	178372
PubChem CID:	76317644
Reduced:	NO4C20H25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-118.08
Dipole, Da:	1.8
IP(EA), eV:	-8.5(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,17S,18S,19S)-17,18-bis(cyclopropylmethoxy)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene

Drug info:

PubChemData

Smile

CCO[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1OCC)C4=CC5=C(C=C4C3)OCO5

DOS

IR

Vibrations