Geometry & MOs

Info

ID:	305782
PubChem CID:	124968897
Reduced:	ClON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	31.64
Dipole, Da:	1.33
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopentyl(methyl)amino]-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCO[C@H](C2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl)C

DOS

IR

Vibrations