Geometry & MOs

Info

ID:	445316
PubChem CID:	135266122
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-55.39
Dipole, Da:	6.02
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-aminopropan-2-yl)phenyl] benzoate

Drug info:

PubChemData

Smile

CC1C=CC(=CC1C)C(O)OCC2=CC=C(C=C2)C(CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4

DOS

IR

Vibrations