Geometry & MOs

Info

ID:	430873
PubChem CID:	135170940
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	402.27949
ΔH_f, kcal/mol:	2.95
Dipole, Da:	5.1
IP(EA), eV:	-8.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[(E)-2-fluoroprop-1-enyl]-5-methyl-N-[1-methyl-3-[[(Z)-2-methylidenepent-3-enyl]amino]cyclohexyl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@@H]1CCC[C@@H](C1)NCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations