Geometry & MOs

Info

ID:	246023
PubChem CID:	103036385
Reduced:	NO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-177.89
Dipole, Da:	1.64
IP(EA), eV:	-8.56(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-methoxy-3-methylbutoxy)pyridin-3-yl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC(C)(CCOC(=O)CCOC1=CC=CC(=C1)N)OC

DOS

IR

Vibrations