Geometry & MOs

Info

ID:	282742
PubChem CID:	103937580
Reduced:	N4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	280.03236
ΔH_f, kcal/mol:	78.05
Dipole, Da:	4.1
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(4-bromopyrazol-1-yl)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2C=NC3=CC=CC=C32)N

DOS

IR

Vibrations