Geometry & MOs

Info

ID:	195804
PubChem CID:	78732710
Reduced:	O2N3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	374.16353
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	2.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755477
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chlorophenyl)ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations