Geometry & MOs

Info

ID:	80234
PubChem CID:	49833675
Reduced:	FON3C11H12 (2)
Stoich.:	ABC3D11E12 (2)
Weight, g/mol:	435.201888
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	6.99
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(2-amino-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(F)F)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CC5=C(N=C4)N=C(N5)N

DOS

IR

Vibrations