Geometry & MOs

Info

ID:	299780
PubChem CID:	117689394
Reduced:	BrN2O2C7H9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	451.200825
ΔH_f, kcal/mol:	-35.37
Dipole, Da:	2.1
IP(EA), eV:	-9.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methylpyridin-2-yl)-pyridin-2-ylmethanol

Drug info:

PubChemData

Smile

CC1=NOC(=C1Br)CNC(=O)C

DOS

IR

Vibrations