Geometry & MOs

Info

ID:	312763
PubChem CID:	126608382
Reduced:	F3C26H33 (1)
Stoich.:	A3B26C33 (1)
Weight, g/mol:	400.144787
ΔH_f, kcal/mol:	-165.32
Dipole, Da:	3.6
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-1-[2-(1-fluorocyclopropyl)-3H-benzimidazol-5-yl]pyrazol-4-yl]-(1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2CCC(CC2)CCC3=C(C(=C4C(=C3)C=CC(=C4F)C)F)F

DOS

IR

Vibrations