Geometry & MOs

Info

ID:	292902
PubChem CID:	117362993
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	2.41
IP(EA), eV:	-8.73(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isocyanatocyclopentyl)-N,N,4-trimethylaniline

Drug info:

PubChemData

Smile

CN1C(=O)CCC2=C1C=C(C=C2)C3(CCCC3)N

DOS

IR

Vibrations