Geometry & MOs

Info

ID:	424653
PubChem CID:	135123510
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	2.46
IP(EA), eV:	-9.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-7-(methoxymethyl)-1,3,4,5-tetrahydropyrido[3,4-b]azepin-2-one

Drug info:

PubChemData

Smile

C1CO[C@@H]1CN2C=NC3=C2C=C(C=C3)C(=O)O

DOS

IR

Vibrations