Geometry & MOs

Info

ID:	125868
PubChem CID:	50941620
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	6.36
IP(EA), eV:	-7.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-methoxyanilino)propyl]chromen-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCCCC2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations