Geometry & MOs

Info

ID:	303835
PubChem CID:	124490237
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	6.26
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,7aR)-1-benzyl-4-(dimethylamino)-6-oxo-3,5,7,7a-tetrahydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNC(=O)C[C@H]2CN3CCCC3

DOS

IR

Vibrations