Geometry & MOs

Info

ID:	278026
PubChem CID:	103832828
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	5.13
IP(EA), eV:	-9.39(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]cyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCCC1C2=CC=NC=C2)N

DOS

IR

Vibrations