Geometry & MOs

Info

ID:	407419
PubChem CID:	135080046
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	223.110947
ΔH_f, kcal/mol:	-153.01
Dipole, Da:	1.99
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-pyrimidin-5-ylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)OCC)NC=C(C#N)C1=CC=C(C=C1)OC

DOS

IR

Vibrations