Geometry & MOs

Info

ID:	214214
PubChem CID:	84974652
Reduced:	N3O3C17H26 (1)
Stoich.:	A3B3C17D26 (1)
Weight, g/mol:	312.14788
ΔH_f, kcal/mol:	-105.53
Dipole, Da:	10.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756779
Charge, e:	1

Chem-info

IUPAC name:

[1-(3-chloroanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CCCNC(=O)C[NH+](C)C(C)C(=O)NC1=CC=C(C=C1)C(=O)C

DOS

IR

Vibrations