Geometry & MOs

Info

ID:	19817
PubChem CID:	573382
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	2.76
IP(EA), eV:	-8.36(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-trien-18-yl)methanol

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1NC34C25CCN6C5C(CCC6)(CC3)CC4CO

DOS

IR

Vibrations