Geometry & MOs

Info

ID:	48204
PubChem CID:	10537885
Reduced:	NOH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	7.73
IP(EA), eV:	-9.33(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(N'-methylcarbamimidoyl)thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)NC(=O)C=C3

DOS

IR

Vibrations