Geometry & MOs

Info

ID:	149729
PubChem CID:	53789404
Reduced:	NO5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	304.132411
ΔH_f, kcal/mol:	-180.01
Dipole, Da:	3.47
IP(EA), eV:	-9.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(1-phenylpyridazin-4-ylidene)urea

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations