Geometry & MOs

Info

ID:	388526
PubChem CID:	134989383
Reduced:	NO4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	163.1361
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	2.11
IP(EA), eV:	-10.46(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-7-butyl-2-methyl-2H-azepine

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)C=CC2=O)C(=O)OC)C

DOS

IR

Vibrations