Geometry & MOs

Info

ID:	423939
PubChem CID:	135120813
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-31.45
Dipole, Da:	3.74
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C(C)N2C=C(C3=CC=CC=C32)C(=O)C

DOS

IR

Vibrations