Geometry & MOs

Info

ID:	269019
PubChem CID:	103605297
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	300.066555
ΔH_f, kcal/mol:	59.35
Dipole, Da:	2.52
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-[(2-cyanophenyl)methylamino]benzoate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations