Geometry & MOs

Info

ID:	281492
PubChem CID:	103913951
Reduced:	SN2O4C16H32 (1)
Stoich.:	AB2C4D16E32 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-225.6
Dipole, Da:	4.73
IP(EA), eV:	-9.25(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-(1-methylimidazol-2-yl)ethylamino]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NC1CCCCN(C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations