Geometry & MOs

Info

ID:	183380
PubChem CID:	77014716
Reduced:	O3N5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-9.9
Dipole, Da:	4.09
IP(EA), eV:	-8.98(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(1-cyclopropylbutan-2-ylamino)ethylidene]-2,6-dimethylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C(CNN1)C(=O)NC2=CC=CC3=C2C(=O)N=NC3=O

DOS

IR

Vibrations