Geometry & MOs

Info

ID:	298872
PubChem CID:	117662246
Reduced:	OC22H36 (1)
Stoich.:	AB22C36 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-111.87
Dipole, Da:	1.98
IP(EA), eV:	-9.22(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3,5-dimethyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C/C=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3C[C@H]([C@@](C4)(C)O)C)C

DOS

IR

Vibrations