Geometry & MOs

Info

ID:	368598
PubChem CID:	127329607
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	386.223929
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	4.23
IP(EA), eV:	-8.97(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-(4-ethylazepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)CC(=O)N2CCN(CC2)C3=C(N=C(O3)C)C#N

DOS

IR

Vibrations