Geometry & MOs

Info

ID:	445662
PubChem CID:	135268819
Reduced:	FON4C25H25 (1)
Stoich.:	ABC4D25E25 (1)
Weight, g/mol:	415.250274
ΔH_f, kcal/mol:	35.66
Dipole, Da:	2.73
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(tert-butylamino)ethenyl]-3-[(4-chlorophenyl)methyl]-2-[2-(4-methyl-2,3-dihydro-1H-pyrrol-2-yl)ethyl]-1,2-dihydroimidazol-5-amine

Drug info:

PubChemData

Smile

C/C=C(/CC1=CC(=C(C=C1)F)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)\N=CC=C

DOS

IR

Vibrations