Geometry & MOs

Info

ID:	159096
PubChem CID:	57260150
Reduced:	NOC17H27 (2)
Stoich.:	ABC17D27 (2)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-168.69
Dipole, Da:	5.23
IP(EA), eV:	-8.82(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 2-(5-nitroindol-1-yl)acetate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)NC(=O)C5=C(C=C(C=C5)N)O)C)C

DOS

IR

Vibrations