Geometry & MOs

Info

ID:	178371
PubChem CID:	76317643
Reduced:	ClON2H21C23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	343.178358
ΔH_f, kcal/mol:	33.59
Dipole, Da:	4.54
IP(EA), eV:	-8.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,17S,18S,19S)-17,18-diethoxy-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

C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)OCCCNC4=CC=C(C=C4)Cl

DOS

IR

Vibrations