Geometry & MOs

Info

ID:	271398
PubChem CID:	103674649
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	244.106791
ΔH_f, kcal/mol:	-167.42
Dipole, Da:	5.2
IP(EA), eV:	-9.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-(3-methylsulfanylcyclohexyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N2CCC[C@@H](C2)C(=O)O

DOS

IR

Vibrations