Geometry & MOs

Info

ID:	306265
PubChem CID:	125003391
Reduced:	N3O6C25H33 (1)
Stoich.:	A3B6C25D33 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-240.69
Dipole, Da:	4.46
IP(EA), eV:	-9.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethylpyrazol-4-yl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@@H](C1)C2=NN(C=C2C3=CC(=CC=C3)C(=O)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations