Geometry & MOs

Info

ID:	363670
PubChem CID:	127312376
Reduced:	NOSF2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-127.83
Dipole, Da:	6.55
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C(=CC(=C2)F)F)N(C1)C(=O)C3CCSCC3

DOS

IR

Vibrations