Geometry & MOs

Info

ID:	297247
PubChem CID:	117614151
Reduced:	BrN3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	535.265791
ΔH_f, kcal/mol:	79.97
Dipole, Da:	4.58
IP(EA), eV:	-9.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[4-[bis(2-methylpropyl)amino]-3-[[methyl-[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]amino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)N2C=CN=N2

DOS

IR

Vibrations