Geometry & MOs

Info

ID:	342300
PubChem CID:	127265077
Reduced:	N2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-26.42
Dipole, Da:	5.8
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)OC)OC1=CC=C(C=C1)C=CC2=NC=C(C=C2)C#N

DOS

IR

Vibrations