Geometry & MOs

Info

ID:	310515
PubChem CID:	126581470
Reduced:	OF2N5C26H31 (1)
Stoich.:	AB2C5D26E31 (1)
Weight, g/mol:	355.180839
ΔH_f, kcal/mol:	-86.08
Dipole, Da:	6.77
IP(EA), eV:	-9.01(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-amino-1-[3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-1-yl]ethenyl]-6-fluoro-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN1CCC(CC1)/C(=C/N)/C2=NC3=C(C=C(C=C3N2CC4=CC=CC=C4)F)C(=O)N)F

DOS

IR

Vibrations