Geometry & MOs

Info

ID:	198803
PubChem CID:	79153921
Reduced:	N2S2O3C12H12 (1)
Stoich.:	A2B2C3D12E12 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	6.57
IP(EA), eV:	-8.95(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-aminophenyl)methyl]-1-cyclopropyl-3,3-dimethylurea

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=CS2)C3=CC(=CS3)C(=O)O

DOS

IR

Vibrations