Geometry & MOs

Info

ID:	214207
PubChem CID:	84974629
Reduced:	O2N3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	370.11301
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	3.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755112
Charge, e:	1

Chem-info

IUPAC name:

[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CCCNC(=O)C[NH+](C)C(C)C(=O)NC1=C(C=C(C=C1C)C)C

DOS

IR

Vibrations