Geometry & MOs

Info

ID:	413331
PubChem CID:	135086279
Reduced:	N2O5H14C19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	468.12011
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	0.74
IP(EA), eV:	-8.95(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-1-[[2-(2-phenylethynyl)phenyl]methyl]indol-3-yl]-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

COC(=O)/C(=C\C1=CC=CC=C1[N+](=O)[O-])/C2=C(C3=CC=CC=C3N2)C=O

DOS

IR

Vibrations