Geometry & MOs

Info

ID:	20161
PubChem CID:	580519
Reduced:	N2O2C7H8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-31.95
Dipole, Da:	9.02
IP(EA), eV:	-9.95(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl-propan-2-ylamino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

DOS

IR

Vibrations