Geometry & MOs

Info

ID:	329793
PubChem CID:	127246660
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	6.48
IP(EA), eV:	-9.39(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CN3C(=O)CNC3=O)C

DOS

IR

Vibrations