Geometry & MOs

Info

ID:	305469
PubChem CID:	124955717
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	3.82
IP(EA), eV:	-8.37(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(=O)N2CC[C@H](C2)C3=NNC(=C3)COC4=CC=CC=C4OC

DOS

IR

Vibrations