Geometry & MOs

Info

ID:	180778
PubChem CID:	76684263
Reduced:	FN2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	-5.57
Dipole, Da:	4.2
IP(EA), eV:	-9.03(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dimethyl-2,3,4,5,8,9-hexahydro-1H-cyclopenta[i][3]benzazepine

Drug info:

PubChemData

Smile

C1CC2=C(C=C3CCNCCC3=C2C1C4=CN=CC=C4)F

DOS

IR

Vibrations