Geometry & MOs

Info

ID:	298949
PubChem CID:	117664429
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	6.25
IP(EA), eV:	-10.1(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-2-methyl-6-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CC12CC(=O)CC1CN(C2)C(=O)O

DOS

IR

Vibrations