Geometry & MOs

Info

ID:	205451
PubChem CID:	80103811
Reduced:	BrNOSC14H16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	251.142248
ΔH_f, kcal/mol:	2.35
Dipole, Da:	1.43
IP(EA), eV:	-9.06(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CC=C1)O)C2=CC=C(S2)Br

DOS

IR

Vibrations