Geometry & MOs

Info

ID:	430972
PubChem CID:	135171042
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	-0.03
Dipole, Da:	8.13
IP(EA), eV:	-8.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazin-3-yl]methyl]-1-(3-methylpyridin-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=CN(N=C4C=C3)C

DOS

IR

Vibrations