Geometry & MOs

Info

ID:	329816
PubChem CID:	127246683
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	6.91
IP(EA), eV:	-9.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations