Geometry & MOs

Info

ID:	211389
PubChem CID:	80942933
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	52.56
Dipole, Da:	4.56
IP(EA), eV:	-8.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-propyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N(C)CC2=CC=CC=C2C)NN

DOS

IR

Vibrations