Geometry & MOs

Info

ID:	305558
PubChem CID:	124960069
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	460.29506
ΔH_f, kcal/mol:	-59.99
Dipole, Da:	1.88
IP(EA), eV:	-9.23(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S)-1-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@@H](C1)CC2=C3C(=NC=C2)C=CC=N3)C(=O)C4CCCCC4

DOS

IR

Vibrations