Geometry & MOs

Info

ID:	197797
PubChem CID:	78997476
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	247.053069
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	4.62
IP(EA), eV:	-9.82(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dichlorophenyl)methylamino]butan-1-ol

Drug info:

PubChemData

Smile

COCCCC(=O)N(CC#N)C1CCCC1

DOS

IR

Vibrations