Geometry & MOs

Info

ID:	314379
PubChem CID:	126621728
Reduced:	NOH15C26 (1)
Stoich.:	ABC15D26 (1)
Weight, g/mol:	323.131014
ΔH_f, kcal/mol:	84.57
Dipole, Da:	0.72
IP(EA), eV:	-8.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),4,6,11,13,15(23),16,18,20-decaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C5=CC6=C(C=C5C=C4)C7=CC=CC=C7N6

DOS

IR

Vibrations