Geometry & MOs

Info

ID:	438226
PubChem CID:	135227920
Reduced:	FN6H21C22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	471.279824
ΔH_f, kcal/mol:	95.9
Dipole, Da:	4.8
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[3-[(3-fluoropyridin-2-yl)-phenylmethyl]-2,2-dimethyl-1H-benzimidazol-5-yl]-N,2,3-trimethyl-N-(methylideneamino)but-1-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)N)NC(C3=CC=CC=C3)C4=C(C=NC=C4)F

DOS

IR

Vibrations