Geometry & MOs

Info

ID:	264137
PubChem CID:	103431945
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	231.173548
ΔH_f, kcal/mol:	11.0
Dipole, Da:	4.08
IP(EA), eV:	-9.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1[C@H](C)N)C(C2=CC=CC=C2)OC

DOS

IR

Vibrations