Geometry & MOs

Info

ID:	395652
PubChem CID:	135026119
Reduced:	N2O2H9C10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	299.131014
ΔH_f, kcal/mol:	48.97
Dipole, Da:	2.57
IP(EA), eV:	-5.7(-3.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylindol-3-yl)phenol

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2[N+]#N)OC(=O)C3=CC=CC=C3[N+]#N

DOS

IR

Vibrations