Geometry & MOs

Info

ID:	276286
PubChem CID:	103821942
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	314.256943
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	4.27
IP(EA), eV:	-8.95(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1)NCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations