Geometry & MOs

Info

ID:	403224
PubChem CID:	135059237
Reduced:	OH22C28 (1)
Stoich.:	AB22C28 (1)
Weight, g/mol:	288.102941
ΔH_f, kcal/mol:	60.51
Dipole, Da:	1.69
IP(EA), eV:	-8.69(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-2-propylphenyl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC=CC=C3)C(=C1C4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations