Geometry & MOs

Info

ID:	391373
PubChem CID:	135004544
Reduced:	OPN2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	34.45
Dipole, Da:	4.97
IP(EA), eV:	-9.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12S,15E)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-one

Drug info:

PubChemData

Smile

C=CC(C(=C)C#N)NP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations