Geometry & MOs

Info

ID:	330475
PubChem CID:	127247882
Reduced:	SO2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-49.18
Dipole, Da:	4.42
IP(EA), eV:	-9.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-methylpyridin-3-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2CCN(CC(C2)C(=O)N)CC3=NC=CS3

DOS

IR

Vibrations