Geometry & MOs

Info

ID:	418615
PubChem CID:	135106241
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	400.272593
ΔH_f, kcal/mol:	-84.04
Dipole, Da:	5.75
IP(EA), eV:	-9.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3,5-ditert-butyl-4-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CCN1C=CC(=CC1=O)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations