Geometry & MOs

Info

ID:	233701
PubChem CID:	92092946
Reduced:	O2N5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	32.54
Dipole, Da:	2.35
IP(EA), eV:	-9.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-4-ylpyridin-3-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations