Geometry & MOs

Info

ID:	129767
PubChem CID:	51073778
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	311.220892
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	3.65
IP(EA), eV:	-8.89(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)C(=O)NCC(C)C

DOS

IR

Vibrations