Geometry & MOs

Info

ID:	28945
PubChem CID:	830816
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	275.094629
ΔH_f, kcal/mol:	-61.51
Dipole, Da:	3.93
IP(EA), eV:	-8.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NCC(=O)NN=CC2=C(C=C(C=C2)O)O

DOS

IR

Vibrations