Geometry & MOs

Info

ID:	190220
PubChem CID:	77971033
Reduced:	O4N5C14H19 (1)
Stoich.:	A4B5C14D19 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	4.9
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-4,15-dimethyl-11-oxa-4-azatetracyclo[8.5.1.01,12.06,16]hexadeca-6(16),7,9-trien-14-ol

Drug info:

PubChemData

Smile

CC(C(C(CO)OCN1C=C2C3=C(NCC=N2)N=CN=C31)O)O

DOS

IR

Vibrations