Geometry & MOs

Info

ID:	25891
PubChem CID:	632654
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	367.105587
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	2.57
IP(EA), eV:	-8.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-7,21-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),2,4(9),5,7,14,16(20)-heptaen-10-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations