Geometry & MOs

Info

ID:	391870
PubChem CID:	135010436
Reduced:	N4O7C44H62 (1)
Stoich.:	A4B7C44D62 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-351.66
Dipole, Da:	2.33
IP(EA), eV:	-9.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-acetyl-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]indole-2-carboxylate

Drug info:

PubChemData

Smile

C1COCCC(=O)NC(CC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)C[C@H](NC1=O)C(=O)NC56CC7CC(C5)CC(C7)C6)C(=O)NC89CC1CC(C8)CC(C1)C9

DOS

IR

Vibrations