Geometry & MOs

Info

ID:	297258
PubChem CID:	117614242
Reduced:	N3C8H11 (1)
Stoich.:	A3B8C11 (1)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	63.09
Dipole, Da:	1.0
IP(EA), eV:	-7.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[4-[bis(2-methylpropyl)amino]-3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=C1/N=C\C=C)N

DOS

IR

Vibrations