Geometry & MOs

Info

ID:	340376
PubChem CID:	127262387
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-66.42
Dipole, Da:	3.29
IP(EA), eV:	-8.81(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)phenyl] cyclohexanecarboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)OC2=CC3=CC=CC=C3C(=C2)CN

DOS

IR

Vibrations