Geometry & MOs

Info

ID:	283438
PubChem CID:	103980685
Reduced:	N3C16H27 (1)
Stoich.:	A3B16C27 (1)
Weight, g/mol:	285.205242
ΔH_f, kcal/mol:	13.97
Dipole, Da:	2.75
IP(EA), eV:	-8.67(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1-amino-1-oxopropan-2-yl)amino]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC(C1=CC=CC=C1)NC2CCCNCC2

DOS

IR

Vibrations