Geometry & MOs

Info

ID:	349995
PubChem CID:	127276868
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	6.38
IP(EA), eV:	-8.69(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-propan-2-yl-1,4-diazepane-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations