Geometry & MOs

Info

ID:	299773
PubChem CID:	117689290
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	78.13
Dipole, Da:	5.95
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-cyclobutyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)C)C2=C3C(=CC(=C2)C4=C(ON=C4C)C)NC(=N3)C5CC5

DOS

IR

Vibrations