Geometry & MOs

Info

ID:	30507
PubChem CID:	841430
Reduced:	ClO3N5H12C13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	45.47
Dipole, Da:	4.06
IP(EA), eV:	-9.62(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(4-ethoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-])C

DOS

IR

Vibrations