Geometry & MOs

Info

ID:	276243
PubChem CID:	103821579
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	313.272927
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	5.12
IP(EA), eV:	-9.68(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[1-(dimethylamino)cyclohexyl]methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)(C)C)NCC1=CC=NN1

DOS

IR

Vibrations