Geometry & MOs

Info

ID:	431334
PubChem CID:	135171409
Reduced:	ClN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	170.061076
ΔH_f, kcal/mol:	-112.63
Dipole, Da:	7.55
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-3-ethylpyridin-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(C=C3)OCCC4=O

DOS

IR

Vibrations