Geometry & MOs

Info

ID:	306976
PubChem CID:	125264529
Reduced:	SO3N4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	-25.75
Dipole, Da:	4.37
IP(EA), eV:	-8.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-3H-pyrazol-4-yl]methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CS[C@@H]3C2=NC(=NC3=O)N4CCC(CC4)C(=O)NCC5=CC(=CC=C5)OC

DOS

IR

Vibrations