Geometry & MOs

Info

ID:	130342
PubChem CID:	51075651
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-90.92
Dipole, Da:	3.02
IP(EA), eV:	-9.38(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-imidazol-1-ylethyl)-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NCCC(=O)NC1(CCC1)C2=CC=CC=C2

DOS

IR

Vibrations