Geometry & MOs

Info

ID:	174972
PubChem CID:	75839770
Reduced:	N5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	336.174573
ΔH_f, kcal/mol:	110.67
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758228
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-methoxyethyl)imidazol-2-yl]methyl-(oxolan-2-ylmethyl)-(thiophen-3-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1=NN(C=C1C[NH2+]C(C)C2=NC3=CC=CC=C3N2)CC=C

DOS

IR

Vibrations