Geometry & MOs

Info

ID:	423228
PubChem CID:	135119142
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	350.13972
ΔH_f, kcal/mol:	-26.63
Dipole, Da:	4.88
IP(EA), eV:	-8.21(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(3-chloro-4-hydroxyphenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NN=C(C=C3)C)O

DOS

IR

Vibrations