Geometry & MOs

Info

ID:	134036
PubChem CID:	51628599
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	33.43
Dipole, Da:	4.43
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC[NH+]1CCC[C@@H]1C[NH2+]CC2=CC(=CC=C2)OC3=NC=CC=N3

DOS

IR

Vibrations