Geometry & MOs

Info

ID:	431877
PubChem CID:	135171998
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	416.289974
ΔH_f, kcal/mol:	-24.35
Dipole, Da:	10.11
IP(EA), eV:	-8.81(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NN=NN2C

DOS

IR

Vibrations