Geometry & MOs

Info

ID:	375389
PubChem CID:	131500174
Reduced:	BrOF2N2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-133.38
Dipole, Da:	1.31
IP(EA), eV:	-8.66(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-cyclopropyl-2-methoxypyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@H](C(CO)(F)F)N)Br)N

DOS

IR

Vibrations