Geometry & MOs

Info

ID:	439103
PubChem CID:	135228866
Reduced:	N2O3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	474.09797
ΔH_f, kcal/mol:	-77.88
Dipole, Da:	10.43
IP(EA), eV:	-9.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[difluoro(iodo)methyl]cyclohexyl]-2-[6-ethenyl-7-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanol

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4)C)C(C)C

DOS

IR

Vibrations