Geometry & MOs

Info

ID:	444635
PubChem CID:	135263081
Reduced:	N3O3C34H41 (1)
Stoich.:	A3B3C34D41 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-73.47
Dipole, Da:	3.73
IP(EA), eV:	-8.46(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-acetyl-2,3-dihydroindol-5-yl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)N(C=C4)CC5CCOCC5)N6CCCCC6

DOS

IR

Vibrations