Geometry & MOs

Info

ID:	336212
PubChem CID:	127255219
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	4.1
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrol-1-yl)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCN(CC4)CC5=CN=CC=C5

DOS

IR

Vibrations