Geometry & MOs

Info

ID:	350224
PubChem CID:	127277302
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	374.198777
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	2.44
IP(EA), eV:	-8.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropanoyl)-N-(1-methylsulfonylpiperidin-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)NCC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations