Geometry & MOs

Info

ID:	434522
PubChem CID:	135175125
Reduced:	O4N9C32H53 (1)
Stoich.:	A4B9C32D53 (1)
Weight, g/mol:	520.414112
ΔH_f, kcal/mol:	-132.43
Dipole, Da:	8.02
IP(EA), eV:	-8.31(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-[3-(tert-butylamino)cyclobutyl]oxypyridin-4-yl]-2,5-dimethylhexan-2-yl]-1-(4-ethylphenyl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CCOCCCN1CCN(CC1)CCCOCC(=O)NC2=CN=C(C=C2NC(C)C)NC3=NC(=NC=C3)N4CCC(CC4)OC

DOS

IR

Vibrations