Geometry & MOs

Info

ID:	25083
PubChem CID:	618798
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-113.02
Dipole, Da:	3.67
IP(EA), eV:	-8.75(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-but-3-en-2-yl-5-hydroxy-2,2a,3,4-tetrahydrobenzo[cd]indole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CC2CCC(C3=C2C1=CC=C3)(C(C)C=C)O

DOS

IR

Vibrations