Geometry & MOs

Info

ID:	280927
PubChem CID:	103851987
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	54.47
Dipole, Da:	4.69
IP(EA), eV:	-9.13(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCCC1(CC1)CNCC2=CC=CC=C2C#N

DOS

IR

Vibrations