Geometry & MOs

Info

ID:	431808
PubChem CID:	135171914
Reduced:	N3O3C29H39 (1)
Stoich.:	A3B3C29D39 (1)
Weight, g/mol:	426.263091
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	4.58
IP(EA), eV:	-8.7(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[(5-carbamoylpyridin-2-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=N[C@H](CO3)C4=CC=CC=C4

DOS

IR

Vibrations