Geometry & MOs

Info

ID:	344190
PubChem CID:	127267366
Reduced:	OS2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	25.17
Dipole, Da:	3.99
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-butoxypyridin-3-yl)methyl]-1-pyridin-2-ylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C2=NC=CN=C2SCC3=CC=CC=C3

DOS

IR

Vibrations