Geometry & MOs

Info

ID:	229081
PubChem CID:	87566914
Reduced:	O3C14H18 (2)
Stoich.:	A3B14C18 (2)
Weight, g/mol:	290.093439
ΔH_f, kcal/mol:	-199.76
Dipole, Da:	6.31
IP(EA), eV:	-9.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C1(CC2CC1C=C2)C(=O)OC(=O)/C=C\C(=O)OC(=O)C3(CC4CC3C=C4)C(C)(C)C

DOS

IR

Vibrations