Geometry & MOs

Info

ID:	419462
PubChem CID:	135108240
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	4.7
IP(EA), eV:	-9.26(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)CC3=COC=C3

DOS

IR

Vibrations