Geometry & MOs

Info

ID:	64957
PubChem CID:	29204251
Reduced:	FOSN2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	2.69
IP(EA), eV:	-9.23(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-nitroanilino)-N-(pyridin-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(S2)C=C(C=C3)F

DOS

IR

Vibrations