Geometry & MOs

Info

ID:	12115
PubChem CID:	130489
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	5.44
IP(EA), eV:	-9.45(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-phenylpropan-2-ylamino)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)NCC2CC(=O)NC(=O)N2

DOS

IR

Vibrations