Geometry & MOs

Info

ID:	340973
PubChem CID:	127263408
Reduced:	BN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	260.071641
ΔH_f, kcal/mol:	-124.73
Dipole, Da:	3.46
IP(EA), eV:	-8.27(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(aminomethyl)-4-chlorophenyl]benzamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCC(C3)C#N

DOS

IR

Vibrations