Geometry & MOs

Info

ID:	148689
PubChem CID:	53788358
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	434.254258
ΔH_f, kcal/mol:	-219.14
Dipole, Da:	2.46
IP(EA), eV:	-9.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[(5-butylbenzotriazol-1-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)O)O)C(=O)N[C@@H](CCCCO)CO

DOS

IR

Vibrations