Geometry & MOs

Info

ID:	13547
PubChem CID:	245004
Reduced:	NO2C22H35 (1)
Stoich.:	AB2C22D35 (1)
Weight, g/mol:	345.266779
ΔH_f, kcal/mol:	-117.5
Dipole, Da:	2.73
IP(EA), eV:	-8.64(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-6-ol

Drug info:

PubChemData

Smile

CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)CN(C2)CCO

DOS

IR

Vibrations