Geometry & MOs

Info

ID:	171684
PubChem CID:	75413493
Reduced:	BrNOC4H6 (2)
Stoich.:	ABCD4E6 (2)
Weight, g/mol:	312.069927
ΔH_f, kcal/mol:	-109.0
Dipole, Da:	3.36
IP(EA), eV:	-9.19(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-cyclopropylthiourea

Drug info:

PubChemData

Smile

C1=CN=CC=C1CC(C(=O)O)N.Br.Br

DOS

IR

Vibrations