Geometry & MOs

Info

ID:	435141
PubChem CID:	135181725
Reduced:	OF2N9C24H25 (1)
Stoich.:	AB2C9D24E25 (1)
Weight, g/mol:	505.268905
ΔH_f, kcal/mol:	20.12
Dipole, Da:	6.59
IP(EA), eV:	-8.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1COCC2=NC3=C(N12)C=C(C=C3F)C4=NC(=NC=C4F)NC5=NN=C(C=C5)N6CCN(CC6)C

DOS

IR

Vibrations