Geometry & MOs

Info

ID:	423654
PubChem CID:	135119949
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	2.3
Dipole, Da:	3.74
IP(EA), eV:	-8.63(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations