Geometry & MOs

Info

ID:	374313
PubChem CID:	131326591
Reduced:	NOH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	23.59
Dipole, Da:	3.61
IP(EA), eV:	-9.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-amino-3-cyanocyclopentyl)carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)/C=C\C#N

DOS

IR

Vibrations