Geometry & MOs

Info

ID:	17086
PubChem CID:	483499
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-101.17
Dipole, Da:	6.52
IP(EA), eV:	-9.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3CC3)C(C)C)C

DOS

IR

Vibrations