Geometry & MOs

Info

ID:	446980
PubChem CID:	135279281
Reduced:	ON4C34H38 (1)
Stoich.:	AB4C34D38 (1)
Weight, g/mol:	403.157516
ΔH_f, kcal/mol:	59.84
Dipole, Da:	5.16
IP(EA), eV:	-8.1(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-4-methanimidoyl-2-methylphenyl]-3-fluoropiperidin-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC1(C=CC(=C1)CCN2C(=C(C3=C2N=CN(C3=N)C[C@H]4CCCC[C@@H]4O)C5=CC=CC=C5)C6=CC=CC=C6)C

DOS

IR

Vibrations