Geometry & MOs

Info

ID:	126018
PubChem CID:	50948595
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	385.226646
ΔH_f, kcal/mol:	-49.93
Dipole, Da:	3.68
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-phenylimidazol-1-yl]ethyl]pyrazine

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)N2CCCN(CC2)CCCN3CCOCC3

DOS

IR

Vibrations