Geometry & MOs

Info

ID:	175084
PubChem CID:	75853446
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	416.129611
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	3.47
IP(EA), eV:	-8.66(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 4-(cyclopropylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NC1=NC2=C(S1)CC(CC2)C

DOS

IR

Vibrations