Geometry & MOs

Info

ID:	231382
PubChem CID:	87573593
Reduced:	BrN2O4H25C26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	397.1001
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	4.77
IP(EA), eV:	-9.49(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CC1=C(C(=CC=C1)Br)[N+](=O)[O-])N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations