Geometry & MOs

Info

ID:	341446
PubChem CID:	127264139
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	228.022104
ΔH_f, kcal/mol:	-135.38
Dipole, Da:	2.47
IP(EA), eV:	-8.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-2-cyclopropyl-5-prop-2-enylpyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H](C1)COC2=NC=C(C=C2)N

DOS

IR

Vibrations