Geometry & MOs

Info

ID:	144229
PubChem CID:	53334748
Reduced:	BrN2O5H21C23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-112.58
Dipole, Da:	4.74
IP(EA), eV:	-8.41(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-8-methoxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations