Geometry & MOs

Info

ID:	324675
PubChem CID:	126678116
Reduced:	NO6C22H31 (1)
Stoich.:	AB6C22D31 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-259.27
Dipole, Da:	3.53
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[[(3Z)-hexa-1,3,5-trien-2-yl]-[1-(2-methoxyethyl)benzimidazol-2-yl]amino]methyl]hydroxylamine

Drug info:

PubChemData

Smile

CCC(=O)CC(=O)OCC(C)OC1=CC=C(C=C1)CN/C(=C\C(=O)OCC)/CC

DOS

IR

Vibrations