Geometry & MOs

Info

ID:	280847
PubChem CID:	103851581
Reduced:	N5C14H23 (1)
Stoich.:	A5B14C23 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	47.39
Dipole, Da:	4.19
IP(EA), eV:	-8.71(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC(C)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations