Geometry & MOs

Info

ID:	220777
PubChem CID:	85239400
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-102.92
Dipole, Da:	4.03
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-1,2,3,5,8,9-hexahydro-1,4-diazecin-10-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NNC)C(=O)C(=C1O)CO

DOS

IR

Vibrations