Geometry & MOs

Info

ID:	80235
PubChem CID:	49833676
Reduced:	O3N7C22H25 (1)
Stoich.:	A3B7C22D25 (1)
Weight, g/mol:	499.201968
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	5.09
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-[7-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]piperidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations