Geometry & MOs

Info

ID:	427270
PubChem CID:	135156558
Reduced:	O4N7H41C42 (1)
Stoich.:	A4B7C41D42 (1)
Weight, g/mol:	209.080041
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	2.12
IP(EA), eV:	-8.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)N(C)[C@H]4CCC[C@H]4C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCC(C8)O)C

DOS

IR

Vibrations