Geometry & MOs

Info

ID:	305435
PubChem CID:	124807241
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	24.17
Dipole, Da:	4.89
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC[C@@H]2CN(CC3=CC=NN23)CC4=CSC=C4

DOS

IR

Vibrations