Geometry & MOs

Info

ID:	305873
PubChem CID:	124972132
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	69.27
Dipole, Da:	2.81
IP(EA), eV:	-8.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(3R)-4-(1-propylpyrazole-3-carbonyl)morpholin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=NC=CC(=C2)[C@H]3CCCN3C(=O)C4=NN=CC=C4

DOS

IR

Vibrations