Geometry & MOs

Info

ID:	217137
PubChem CID:	85087311
Reduced:	NO3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	-157.67
Dipole, Da:	3.56
IP(EA), eV:	-8.95(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethylphenyl)-2-ethyl-7-methyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCNC(=O)CCC(=O)OC)C)C)C

DOS

IR

Vibrations