Geometry & MOs

Info

ID:	329759
PubChem CID:	127246626
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-14.73
Dipole, Da:	7.02
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CC3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations