Geometry & MOs

Info

ID:	139641
PubChem CID:	52574010
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	306.173213
ΔH_f, kcal/mol:	-78.23
Dipole, Da:	6.31
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-cyanophenyl)ethyl]-N-ethyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)CN(CCOC)C(=O)CCC1=NN=C(O1)C2=CC=CC=C2

DOS

IR

Vibrations