Geometry & MOs

Info

ID:	536
PubChem CID:	2949
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	4.46
Dipole, Da:	5.01
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

DOS

IR

Vibrations