Geometry & MOs

Info

ID:	448987
PubChem CID:	135294996
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	55.59
Dipole, Da:	2.97
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-methoxy-4-methylphenyl)-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

C/C=C(/C1CC=C(C=C1)ONN)\C2=NC=C(C=C2C)C3=C(ON=C3C)C

DOS

IR

Vibrations