Geometry & MOs

Info

ID:	191682
PubChem CID:	78176433
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-63.55
Dipole, Da:	2.7
IP(EA), eV:	-9.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dioxo-1,3-diazinan-4-yl)amino]-2-phenylacetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC2C(C(=O)NC(=O)N2)[N+](=O)[O-]

DOS

IR

Vibrations