Geometry & MOs

Info

ID:	355190
PubChem CID:	127288122
Reduced:	ClO2N4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	365.187005
ΔH_f, kcal/mol:	-86.21
Dipole, Da:	5.04
IP(EA), eV:	-8.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-[(2-cyclohexyl-2-hydroxyethyl)amino]pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC2=C(C=C(C=N2)C(=O)N3CCCCC3)Cl)C

DOS

IR

Vibrations