Geometry & MOs

Info

ID:	445675
PubChem CID:	135268871
Reduced:	FO3N6C26H27 (1)
Stoich.:	AB3C6D26E27 (1)
Weight, g/mol:	442.193567
ΔH_f, kcal/mol:	12.36
Dipole, Da:	2.87
IP(EA), eV:	-8.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-N-methyl-5-(methylamino)imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2C=CC(=NN2)OCCN=O)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F

DOS

IR

Vibrations