Geometry & MOs

Info

ID:	315518
PubChem CID:	126627302
Reduced:	FN3O4C32H34 (1)
Stoich.:	AB3C4D32E34 (1)
Weight, g/mol:	385.082934
ΔH_f, kcal/mol:	-118.61
Dipole, Da:	6.32
IP(EA), eV:	-8.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-formyl-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C3=CC=CC(=C3)C4=C(C=CC(=C4)F)O)C(=C1CC(=O)OC)N5CCC(CC5)(C)OCC=C

DOS

IR

Vibrations