Geometry & MOs

Info

ID:	329261
PubChem CID:	126733453
Reduced:	ClFO2N3C15H29 (1)
Stoich.:	ABC2D3E15F29 (1)
Weight, g/mol:	259.125154
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	2.32
IP(EA), eV:	-8.88(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3R)-2,2-dimethylhex-5-en-3-yl]-5-fluoro-1,2-dihydropyrimidin-6-amine

Drug info:

PubChemData

Smile

CCC(NC(=NCC(CC(CO)O)C(C)(C)C)/C(=C\N)/F)Cl

DOS

IR

Vibrations