Geometry & MOs

Info

ID:	342713
PubChem CID:	127265873
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	282.149204
ΔH_f, kcal/mol:	44.38
Dipole, Da:	3.22
IP(EA), eV:	-8.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(5-fluoropyrimidin-2-yl)amino]but-2-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)C=CC2=CN=C(S2)N3CCOCC3

DOS

IR

Vibrations