Geometry & MOs

Info

ID:	175615
PubChem CID:	75927816
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	449.161853
ΔH_f, kcal/mol:	-29.32
Dipole, Da:	4.03
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-5-[benzyl-[(2-chloropyridin-4-yl)methyl]amino]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC=CC=C2OC3=CN=CC=C3)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations