Geometry & MOs

Info

ID:	56673
PubChem CID:	21317842
Reduced:	NO3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	1.67
IP(EA), eV:	-8.55(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CC1(CCCCC1C(C2=CC(=CC=C2)OCOC)N(C)C)O

DOS

IR

Vibrations