Geometry & MOs

Info

ID:	416574
PubChem CID:	135089699
Reduced:	FN2O2H21C23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	4.11
IP(EA), eV:	-9.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzimidazol-1-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)F)CC4=CC=NC=C4

DOS

IR

Vibrations