Geometry & MOs

Info

ID:	62957
PubChem CID:	26737792
Reduced:	N3O7C18H19 (1)
Stoich.:	A3B7C18D19 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	-155.23
Dipole, Da:	6.97
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC(=C(C(=C2)OC)OCC(=O)N)OC

DOS

IR

Vibrations