Geometry & MOs

Info

ID:	306948
PubChem CID:	125264402
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	17.1
Dipole, Da:	2.83
IP(EA), eV:	-8.48(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC[C@H]3[C@H]2CCC(=O)N3C4=CN(N=C4)C

DOS

IR

Vibrations