Geometry & MOs

Info

ID:	400978
PubChem CID:	135049610
Reduced:	NC21H29 (1)
Stoich.:	AB21C29 (1)
Weight, g/mol:	215.115758
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	4.04
IP(EA), eV:	-8.98(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-nitropropyl)cyclopentyl] acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CC#N)C

DOS

IR

Vibrations