Geometry & MOs

Info

ID:	381617
PubChem CID:	134972408
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-13.0
Dipole, Da:	2.33
IP(EA), eV:	-8.73(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(N-cyanoanilino)methyl]-3-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3

DOS

IR

Vibrations