Geometry & MOs

Info

ID:	209983
PubChem CID:	80747142
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	313.166938
ΔH_f, kcal/mol:	-132.26
Dipole, Da:	6.99
IP(EA), eV:	-8.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5-chloro-2-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCCCCN(C1=C(C=C2C(C(=O)NC2=C1)O)F)C(C)C

DOS

IR

Vibrations