Geometry & MOs

Info

ID:	342714
PubChem CID:	127265874
Reduced:	FO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-93.37
Dipole, Da:	3.17
IP(EA), eV:	-9.54(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC=CCNC1=NC=C(C=N1)F

DOS

IR

Vibrations