Geometry & MOs

Info

ID:	248040
PubChem CID:	103078467
Reduced:	ON5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	209.12766
ΔH_f, kcal/mol:	36.8
Dipole, Da:	3.17
IP(EA), eV:	-7.96(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1-methylpyrazol-3-yl)-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC(=NC=C2)OC)N

DOS

IR

Vibrations