Geometry & MOs

Info

ID:	213963
PubChem CID:	81065597
Reduced:	O3N4C10H14 (1)
Stoich.:	A3B4C10D14 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	6.22
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=NC=CN=C1C(=O)N

DOS

IR

Vibrations