Geometry & MOs

Info

ID:	138634
PubChem CID:	52398688
Reduced:	FN2O3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	369.240285
ΔH_f, kcal/mol:	-154.1
Dipole, Da:	7.93
IP(EA), eV:	-9.38(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[1-[(1-butylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)[C@H](C3=CC(=C(C=C3)F)C)C(=O)O

DOS

IR

Vibrations