Geometry & MOs

Info

ID:	272174
PubChem CID:	103730562
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	306.051968
ΔH_f, kcal/mol:	-77.42
Dipole, Da:	4.28
IP(EA), eV:	-9.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-nitro-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)CC2=CC=CS2)O

DOS

IR

Vibrations