Geometry & MOs

Info

ID:	282995
PubChem CID:	103952143
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-53.86
Dipole, Da:	2.44
IP(EA), eV:	-9.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohex-2-en-1-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)NCCC2=NC(=NO2)C

DOS

IR

Vibrations