Geometry & MOs

Info

ID:	175684
PubChem CID:	75936485
Reduced:	ON4C23H33 (1)
Stoich.:	AB4C23D33 (1)
Weight, g/mol:	369.113658
ΔH_f, kcal/mol:	12.21
Dipole, Da:	2.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.965365
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(2,4-dichlorophenyl)acetyl]amino]-1-(furan-2-yl)ethyl]-diethylazanium

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)C(C)CNC(=O)C2=NN(C3=C2CCC3)C4=CC=CC=C4C

DOS

IR

Vibrations