Geometry & MOs

Info

ID:	431876
PubChem CID:	135171997
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-27.68
Dipole, Da:	6.15
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[(1-methyltetrazol-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(N=N2)C

DOS

IR

Vibrations