Geometry & MOs

Info

ID:	217354
PubChem CID:	85087674
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-115.91
Dipole, Da:	7.17
IP(EA), eV:	-9.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-yl) acetate

Drug info:

PubChemData

Smile

CCCCC=CC=CC1CCC(=O)N1CCCC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations