Geometry & MOs

Info

ID:	417273
PubChem CID:	135091900
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	4.55
IP(EA), eV:	-8.99(0.01)
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]-N,2,3-trimethyl-1H-indole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations