Geometry & MOs

Info

ID:	272118
PubChem CID:	103724464
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	60.16
Dipole, Da:	5.52
IP(EA), eV:	-9.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 3-amino-4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1(CC1)CNCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations