Geometry & MOs

Info

ID:	306899
PubChem CID:	125264227
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	2.53
IP(EA), eV:	-9.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-4-phenyl-1-(3H-pyrrole-2-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]2[C@H]1N(CC2)C(=O)C3=NC=CC3)C4=CC=CC=C4

DOS

IR

Vibrations