Geometry & MOs

Info

ID:	305923
PubChem CID:	124974523
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	50.96
Dipole, Da:	2.71
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2S)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)CN3CCO[C@H](C3)C4=NC(=CC=C4)N)C

DOS

IR

Vibrations