Geometry & MOs

Info

ID:	419911
PubChem CID:	135109697
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	240.077789
ΔH_f, kcal/mol:	24.07
Dipole, Da:	5.59
IP(EA), eV:	-8.4(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methylpyrimidin-4-yl)-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=N2)CCC(=O)N3CC(C3)N4C(=CC(=N4)C)C)C

DOS

IR

Vibrations