Geometry & MOs

Info

ID:	171698
PubChem CID:	75414139
Reduced:	O2F4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-222.62
Dipole, Da:	4.47
IP(EA), eV:	-9.92(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-3-(3-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)F)C(=O)OC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations