Geometry & MOs

Info

ID:	139761
PubChem CID:	52590701
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	392.09736
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	1.58
IP(EA), eV:	-8.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[(2-bromophenyl)carbamoylamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

DOS

IR

Vibrations