Geometry & MOs

Info

ID:	354723
PubChem CID:	127287422
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-120.21
Dipole, Da:	2.8
IP(EA), eV:	-9.34(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NCC2CCN(CC2)C(=O)C

DOS

IR

Vibrations