Geometry & MOs

Info

ID:	421522
PubChem CID:	135116161
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	383.17461
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	5.28
IP(EA), eV:	-8.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[pyridin-3-ylmethyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)O

DOS

IR

Vibrations