Geometry & MOs

Info

ID:	297332
PubChem CID:	117615207
Reduced:	N4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	34.61
Dipole, Da:	3.55
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-6-methylcycloheptan-1-one

Drug info:

PubChemData

Smile

C[C@H](C1CCCCC1)N2C3CCC2CC(C3)N4C5=CC=CC=C5N=C4C6CNC6

DOS

IR

Vibrations