Geometry & MOs

Info

ID:	342715
PubChem CID:	127265875
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	3.32
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC=CCNC1=NC=NC=C1Cl

DOS

IR

Vibrations