Geometry & MOs

Info

ID:	445831
PubChem CID:	135269696
Reduced:	N4C33H44 (1)
Stoich.:	A4B33C44 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	56.75
Dipole, Da:	1.73
IP(EA), eV:	-8.32(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyanato-1,4-dimethylcyclopentyl)methyl cyanate

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)C

DOS

IR

Vibrations