Geometry & MOs

Info

ID:	213856
PubChem CID:	81065487
Reduced:	O2N5C7H13 (1)
Stoich.:	A2B5C7D13 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	5.11
IP(EA), eV:	-9.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-thiophen-2-ylbutylcarbamoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=NN=NN1C

DOS

IR

Vibrations