Geometry & MOs

Info

ID:	279105
PubChem CID:	103841156
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	10.15
Dipole, Da:	1.7
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopropylcyclopropyl)methyl]-3-(3-methoxypropyl)thiourea

Drug info:

PubChemData

Smile

CC1(CC1C(=O)NC2=CC=CC=C2C#N)C

DOS

IR

Vibrations