Geometry & MOs

Info

ID:	305382
PubChem CID:	124807059
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-58.42
Dipole, Da:	4.57
IP(EA), eV:	-8.52(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-4-pyridin-3-yl-1-pyrimidin-2-yl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@H](C)N2CC[C@H]3CCCC[C@H]3C2

DOS

IR

Vibrations