Geometry & MOs

Info

ID:	62364
PubChem CID:	26719635
Reduced:	N2O2H9C11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	12.24
Dipole, Da:	9.31
IP(EA), eV:	-9.2(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)OCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations