Geometry & MOs

Info

ID:	287998
PubChem CID:	104306154
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-41.76
Dipole, Da:	5.74
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N-[4-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CNC2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)CO

DOS

IR

Vibrations