Geometry & MOs

Info

ID:	418759
PubChem CID:	135106714
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-125.61
Dipole, Da:	4.86
IP(EA), eV:	-9.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methoxyphenoxy)ethyl]-4-(2-methylpyridin-4-yl)-1,4-diazepane

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CN2CC(=O)NC2=O)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations