Geometry & MOs

Info

ID:	140641
PubChem CID:	52734718
Reduced:	O2N6C23H31 (1)
Stoich.:	A2B6C23D31 (1)
Weight, g/mol:	331.18441
ΔH_f, kcal/mol:	48.14
Dipole, Da:	13.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.896046
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(1R)-2-[(3-ethylthiophene-2-carbonyl)amino]-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC[C@H](C1=CC(=CC=C1)OC)[NH+](C)C)N2N=C(N=N2)C3=CC=CC=C3

DOS

IR

Vibrations