Geometry & MOs

Info

ID:	308206
PubChem CID:	125317254
Reduced:	FN4H17C21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	344.143725
ΔH_f, kcal/mol:	77.55
Dipole, Da:	5.42
IP(EA), eV:	-9.21(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethyl-1-(4-fluorophenyl)imino-3-methyl-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC[C@@H]1C(=C(C2=NC3=CC=CC=C3N2C1=NC4=CC=C(C=C4)F)C#N)C

DOS

IR

Vibrations