Geometry & MOs

Info

ID:	150919
PubChem CID:	53790616
Reduced:	O5C20H36 (1)
Stoich.:	A5B20C36 (1)
Weight, g/mol:	282.129217
ΔH_f, kcal/mol:	-259.24
Dipole, Da:	3.96
IP(EA), eV:	-9.55(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[amino-[N-(cyclopropylmethyl)-2,5-difluoroanilino]methylidene]-3-methylurea

Drug info:

PubChemData

Smile

CC(C)C=CC(=O)C(C)CCCC1([C@@H](CCC(CO1)C(CO)O)O)C

DOS

IR

Vibrations