Geometry & MOs

Info

ID:	230493
PubChem CID:	87571067
Reduced:	BrClO2N3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	389.05057
ΔH_f, kcal/mol:	-58.65
Dipole, Da:	7.84
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(5-bromo-6-chloropyridin-3-yl)amino]methyl]cyclopropyl]-(2,2-dimethylpropyl)carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)CNC2=CC(=C(N=C2)Cl)Br)NC(=O)O

DOS

IR

Vibrations