Geometry & MOs

Info

ID:	413463
PubChem CID:	135086412
Reduced:	NF3O6H14C16 (1)
Stoich.:	AB3C6D14E16 (1)
Weight, g/mol:	418.10446
ΔH_f, kcal/mol:	-361.95
Dipole, Da:	4.31
IP(EA), eV:	-9.37(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=CC=CC=C2C(=C(C(F)(F)F)OC(=O)OCC)C1=O

DOS

IR

Vibrations