Geometry & MOs

Info

ID:	346231
PubChem CID:	127270722
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	8.54
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)N)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

DOS

IR

Vibrations