Geometry & MOs

Info

ID:	208390
PubChem CID:	80526826
Reduced:	NOSC15H25 (1)
Stoich.:	ABCD15E25 (1)
Weight, g/mol:	236.082874
ΔH_f, kcal/mol:	-49.6
Dipole, Da:	2.09
IP(EA), eV:	-8.97(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CCC1CC(CCO1)NCC(C)(C)C2=CC=CS2

DOS

IR

Vibrations