Geometry & MOs

Info

ID:	430425
PubChem CID:	135170489
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	486.249172
ΔH_f, kcal/mol:	15.9
Dipole, Da:	6.57
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-[4-[[(2-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2)C(=O)N)C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5

DOS

IR

Vibrations