Geometry & MOs

Info

ID:	360245
PubChem CID:	127300888
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	28.64
Dipole, Da:	7.6
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)C)C

DOS

IR

Vibrations