Geometry & MOs

Info

ID:	313669
PubChem CID:	126616865
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	361.139054
ΔH_f, kcal/mol:	-148.57
Dipole, Da:	3.96
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(difluoromethyl)-1,3-dihydroinden-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=C3C=C(C=CC3=NN2)C(=O)O

DOS

IR

Vibrations