Geometry & MOs

Info

ID:	329808
PubChem CID:	127246675
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	26.01
Dipole, Da:	3.66
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3CCC(C3)C4=NC(=CC(=N4)C)C

DOS

IR

Vibrations