Geometry & MOs

Info

ID:	164819
PubChem CID:	74458241
Reduced:	FN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	332.233802
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	4.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763496
Charge, e:	1

Chem-info

IUPAC name:

(2-amino-2-oxoethyl)-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-propan-2-ylazanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCC[NH+]2CC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations