Geometry & MOs

Info

ID:	195475
PubChem CID:	78691046
Reduced:	ON4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	22.92
Dipole, Da:	5.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752344
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-ethylpiperazin-1-yl)anilino]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(C)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations