Geometry & MOs

Info

ID:	203869
PubChem CID:	79886120
Reduced:	ClNOC8H16 (1)
Stoich.:	ABCD8E16 (1)
Weight, g/mol:	275.087018
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	5.02
IP(EA), eV:	-9.94(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(aminomethyl)-2,6-difluorophenoxy]methyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)CN(CC)C(=O)Cl

DOS

IR

Vibrations