Geometry & MOs

Info

ID:	436429
PubChem CID:	135202714
Reduced:	FO4N7C31H36 (1)
Stoich.:	AB4C7D31E36 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-126.85
Dipole, Da:	7.63
IP(EA), eV:	-8.87(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)butan-2-yl]pyridin-4-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=CC(=C2)C3=NC(=NC=C3F)NC4=NC5=C(CN(CC5)CCN(C)C(=O)OC(C)(C)C)C=C4)C(=O)C1=O

DOS

IR

Vibrations