Geometry & MOs

Info

ID:	413848
PubChem CID:	135086798
Reduced:	NO8C18H19 (1)
Stoich.:	AB8C18D19 (1)
Weight, g/mol:	420.12011
ΔH_f, kcal/mol:	-290.4
Dipole, Da:	2.84
IP(EA), eV:	-9.32(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-1-(5-phenylpent-4-ynyl)indol-3-yl]-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1C2=CC=CC=C2N(C1=O)C(=O)OCC)OC(=O)OCC

DOS

IR

Vibrations