Geometry & MOs

Info

ID:	279873
PubChem CID:	103845452
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-131.2
Dipole, Da:	3.08
IP(EA), eV:	-9.12(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C(C1)NCC2=CC=CC=C2)OC

DOS

IR

Vibrations