Geometry & MOs

Info

ID:	444624
PubChem CID:	135263039
Reduced:	BrNO4H22C24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	442.225643
ΔH_f, kcal/mol:	-72.23
Dipole, Da:	2.29
IP(EA), eV:	-8.83(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-1-[1-(2-hydroxyethyl)indol-5-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)OCO5)Br

DOS

IR

Vibrations