Geometry & MOs

Info

ID:	447694
PubChem CID:	135284840
Reduced:	O2F3N3C23H28 (1)
Stoich.:	A2B3C3D23E28 (1)
Weight, g/mol:	377.165188
ΔH_f, kcal/mol:	-217.75
Dipole, Da:	6.12
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(4-cyano-2-ethyl-6-fluoroanilino)methyl]-1H-benzimidazol-4-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCN1CC2=NC=CC(=C2C1=O)C3=CC(=C(C=C3)OC[C@](C)(CC(C)C)N)C(F)(F)F

DOS

IR

Vibrations