Geometry & MOs

Info

ID:	367037
PubChem CID:	127322969
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	7.88
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-propan-2-ylpyrimidin-5-yl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCN(C3=CC=CC=C32)C

DOS

IR

Vibrations